Pressure evolution of electronic structure and magnetism in the layered van der Waals ferromagnet <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi>CrGeTe</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:math>

Han-Xiang Xu, Makoto Shimizu, Daniel Guterding, Junya Otsuki, Harald O. Jeschke

Physical Review B   108 ( 12 )   2023.9

Signatures of a magnetic superstructure phase induced by ultrahigh magnetic fields in a breathing pyrochlore antiferromagnet

Masaki Gen, Akihiko Ikeda, Kazushi Aoyama, Harald O. Jeschke, Yuto Ishii, Hajime Ishikawa, Takeshi Yajima, Yoshihiko Okamoto, Xuguang Zhou, Daisuke Nakamura, Shojiro Takeyama, Koichi Kindo, Yasuhiro H. Matsuda, Yoshimitsu Kohama

Proceedings of the National Academy of Sciences   120 ( 33 )   2023.8

Correlation between electronic structure and emergence of superconductivity in Bi2−xSbxTe3−ySey ( y∼1.2 ) studied by x-ray emission spectroscopy and density functional theory

Hitoshi Yamaoka, Harald O. Jeschke, Huan Li, Tong He, Naohito Tsujii, Nozomu Hiraoka, Hirofumi Ishii, Hidenori Goto, Yoshihiro Kubozono

Physical Review B   2023.7

Synthesis and anisotropic magnetic properties of LiCrTe 2 single crystals with a triangular-lattice antiferromagnetic structure

Catherine Witteveen, Elisabetta Nocerino, Sara A López-Paz, Harald O Jeschke, Vladimir Y Pomjakushin, Martin Månsson, Fabian O von Rohr

Journal of Physics: Materials   2023.7

CrRhAs: a member of a large family of metallic kagome antiferromagnets

Y. N. Huang, Harald O. Jeschke, Igor I. Mazin

npj Quantum Materials   2023.6

Magnetic excitation spectrum and Hamiltonian of the quantum spin chain compound BaCuTe2O6

A. Samartzis, S. Chillal, H. O. Jeschke, D. J. Voneshen, Z. Lu, A. T. M. N. Islam, B. Lake

Physical Review B   2023.5

Increased localization of Majorana modes in antiferromagnetic chains on superconductors

Harald O. Jeschke

Physical Review B   2023

Majorana modes with side features in magnet-superconductor hybrid systems

Daniel Crawford, Eric Mascot, Makoto Shimizu, Philip Beck, Jens Wiebe, Roland Wiesendanger, Harald O. Jeschke, Dirk K. Morr, Stephan Rachel

npj Quantum Materials   2022.12

Birchite Cd2Cu2(PO4)2SO4·5H2O as a model antiferromagnetic spin-1/2 Heisenberg J1−J2 chain

Masayoshi Fujihala, Harald O. Jeschke, Katsuhiro Morita, Tomohiko Kuwai, Akihiro Koda, Hirotaka Okabe, Akira Matsuo, Koichi Kindo, Setsuo Mitsuda

Physical Review Materials   2022.11

Anomalously large spin-dependent electron correlation in the nearly half-metallic ferromagnet CoS2

Hirokazu Fujiwara, Kensei Terashima, Junya Otsuki, Nayuta Takemori, Harald O. Jeschke, Takanori Wakita, Yuko Yano, Wataru Hosoda, Noriyuki Kataoka, Atsushi Teruya, Masashi Kakihana, Masato Hedo, Takao Nakama, Yoshichika Ōnuki, Koichiro Yaji, Ayumi Harasawa, Kenta Kuroda, Shik Shin, Koji Horiba, Hiroshi Kumigashira, Yuji Muraoka, Takayoshi Yokoya

Physical Review B   106 ( 8 )   2022.8

Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite

Max Hering, Francesco Ferrari, Aleksandar Razpopov, Igor I. Mazin, Roser Valentí, Harald O. Jeschke, Johannes Reuther

npj Computational Materials   2022.1

Antiferromagnetic spin fluctuations and superconductivity in NbRh2B2 and TaRh2B2 with a chiral crystal structure

Kazuaki Matano, Ryo Ogura, Mateo Fountaine, Harald O. Jeschke, Shinji Kawasaki, Guo-qing Zheng

Physical Review B   104 ( 22 )   2021.12

Field-tunable toroidal moment in a chiral-lattice magnet

Lei Ding, Xianghan Xu, Harald O. Jeschke, Xiaojian Bai, Erxi Feng, Admasu Solomon Alemayehu, Jaewook Kim, Fei-Ting Huang, Qiang Zhang, Xiaxin Ding, Neil Harrison, Vivien Zapf, Daniel Khomskii, Igor I. Mazin, Sang-Wook Cheong, Huibo Cao

Nature Communications   12 ( 1 )   2021.12

Theory for doping trends in titanium oxypnictide superconductors

Han-Xiang Xu, Daniel Guterding, Harald O. Jeschke

Physical Review B   2021.11

Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite

Hajime Yamamoto, Terutoshi Sakakura, Harald O. Jeschke, Noriyuki Kabeya, Kanata Hayashi, Yuya Ishikawa, Yutaka Fujii, Shunji Kishimoto, Hajime Sagayama, Kei Shigematsu, Masaki Azuma, Akira Ochiai, Yukio Noda, Hiroyuki Kimura

Physical Review Materials   5 ( 10 )   2021.10

Magnetic Field Induced Quantum Spin Liquid in the Two Coupled Trillium Lattices of

Ivica Živković, Virgile Favre, Catalina Salazar Mejia, Harald O. Jeschke, Arnaud Magrez, Bhupen Dabholkar, Vincent Noculak, Rafael S. Freitas, Minki Jeong, Nagabhushan G. Hegde, Luc Testa, Peter Babkevich, Yixi Su, Pascal Manuel, Hubertus Luetkens, Christopher Baines, Peter J. Baker, Jochen Wosnitza, Oksana Zaharko, Yasir Iqbal, Johannes Reuther, Henrik M. Rønnow

Physical Review Letters   127 ( 15 )   2021.10

Spin Vortex Crystal Order in Organic Triangular Lattice Compound

Kira Riedl, Elena Gati, David Zielke, Steffi Hartmann, Oleg M. Vyaselev, Nataliya D. Kushch, Harald O. Jeschke, Michael Lang, Roser Valentí, Mark V. Kartsovnik, Stephen M. Winter

Physical Review Letters   127 ( 14 )   2021.10

Magnetization Process of Atacamite: A Case of Weakly Coupled S=1/2 Sawtooth Chains

L. Heinze, H. O. Jeschke, I. I. Mazin, A. Metavitsiadis, M. Reehuis, R. Feyerherm, J.-U. Hoffmann, M. Bartkowiak, O. Prokhnenko, A. U. B. Wolter, X. Ding, V. S. Zapf, C. Corvalán Moya, F. Weickert, M. Jaime, K. C. Rule, D. Menzel, R. Valentí, W. Brenig, S. Süllow

Physical Review Letters   2021.5

Hole doping and chemical pressure effects on the strong coupling superconductor PdTe

Li Chen, Ando Ide, Harald O. Jeschke, Kaya Kobayashi

Physical Chemistry Chemical Physics   23 ( 23 )   13331 - 13337   2021

Evidence for a three-dimensional quantum spin liquid in PbCuTe2O6

Shravani Chillal, Yasir Iqbal, Harald O. Jeschke, Jose A. Rodriguez-Rivera, Robert Bewley, Pascal Manuel, Dmitry Khalyavin, Paul Steffens, Ronny Thomale, A. T. M. Nazmul Islam, Johannes Reuther, Bella Lake

Nature Communications   11 ( 1 )   2020.12

Electronic structures of Bi2Se3 and AgxBi2Se3 under pressure studied by high-resolution x-ray absorption spectroscopy and density functional theory calculations

Hitoshi Yamaoka, Harald O. Jeschke, Xiaofan Yang, Tong He, Hidenori Goto, Nozomu Hiraoka, Hirofumi Ishii, Jun'ichiro Mizuki, Yoshihiro Kubozono

Physical Review B   102 ( 15 )   2020.10

q=0 long-range magnetic order in centennialite CaCu3(OD)6Cl2·0.6D2O : A spin- 12 perfect kagome antiferromagnet with J1−J2−Jd

K. Iida, H. K. Yoshida, A. Nakao, H. O. Jeschke, Y. Iqbal, K. Nakajima, S. Ohira-Kawamura, K. Munakata, Y. Inamura, N. Murai, M. Ishikado, R. Kumai, T. Okada, M. Oda, K. Kakurai, M. Matsuda

Physical Review B   101 ( 22 )   2020.6

Importance of the Fermi surface and magnetic interactions for the superconducting dome in electron-doped FeSe intercalates

Makoto Shimizu, Nayuta Takemori, Daniel Guterding, Harald O. Jeschke

Physical Review B   101 ( 18 )   2020.5

Unusual electronic state of Sn in AgSnSe2 Reviewed

Y. Naijo, K. Hada, T. Furukawa, T. Itou, T. Ueno, K. Kobayashi, I. I. Mazin, H. O. Jeschke, J. Akimitsu

Physical Review B   101 ( 7 )   075134   2020.2

Charge ordering and low-temperature lattice distortion in the β′ -(BEDT- TTF)2CF3CF2SO3 dimer Mott insulator

Olejniczak, I., Wesołowski, R., Jeschke, H.O., Valentí, R., Barszcz, B., Schlueter, J.A.

Physical Review B   101 ( 3 )   2020

Radical cation salts of BETS and ET with dicyanamidocuprate anions demonstrating metal-insulator and semiconductor-semiconductor transitions

Kushch, Nataliya D., Kopotkov, Vyacheslav A., Shilov, Gennady, V, Akimov, Alexander, V, Tokarev, Sergey, V, Yagubskii, Eduard B., Zverev, Vladimir N., Khasanov, Salavat S., Winter, Stephen M., Jeschke, Harald O.

Polyhedron   189   2020

Coexistence and Interaction of Spinons and Magnons in an Antiferromagnet with Alternating Antiferromagnetic and Ferromagnetic Quantum Spin Chains

Zhang, H., Zhang, H., Zhao, Z., Zhao, Z., Gautreau, D., Gautreau, D., Raczkowski, M., Raczkowski, M., Saha, A., Saha, A., Garlea, V. O., Garlea, V. O., Cao, H., Cao, H., Hong, T., Hong, T., Jeschke, H. O., Jeschke, H. O., Mahanti, Subhendra D., Mahanti, Subhendra D., Birol, T., Birol, T., Assaad, F. F., Assaad, F. F., Ke, X., Ke, X.

Physical Review Letters   125 ( 3 )   2020

Superconductivity in Laves structured Au compound Ⅲ

Takahashi Takeshi, Jeschke Harald O., Akimitsu Jun, Ninomiya Hiroki, Ishida Shigeyuki, Eisaki Hiroshi, Kobayashi Kaya

Meeting Abstracts of the Physical Society of Japan   75.1   2022 - 2022   2020

Novel Fe-Based Superconductor LaFe2As2 in Comparison with Traditional Pnictides

I. I. Mazin, Makoto Shimizu, Nayuta Takemori, Harald O. Jeschke

Physical Review Letters   123 ( 26 )   2019.12

Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians

Pratyay Ghosh, Yasir Iqbal, Tobias Müller, Ravi T. Ponnaganti, Ronny Thomale, Rajesh Narayanan, Johannes Reuther, Michel J. P. Gingras, Harald O. Jeschke

npj Quantum Materials   4 ( 1 )   2019.12

Pressure-induced superconductivity in Bi2-xSbxTe3-ySey Reviewed

He Tong, Yang Xiaofan, Taguchi Tomoya, Ueno Teppei, Kobayashi Kaya, Akimitsu Jun, Yamaoka Hitoshi, Ishii Hirofumi, Liao Yen-Fa, Ota Hiromi, Goto Hidenori, Eguchi Ritsuko, Terashima Kensei, Yokoya Takayoshi, Jeschke Harald O, Wu Xianxin, Kubozono Yoshihiro

PHYSICAL REVIEW B   100 ( 9 )   2019.9

From kagome strip to kagome lattice: Realizations of frustrated S= 12 antiferromagnets in Ti(III) fluorides

Harald O. Jeschke, Hiroki Nakano, Tôru Sakai

Physical Review B   99 ( 14 )   2019.4

Large resistivity reduction in mixed-valent CsAuBr3 under pressure

Naumov, P., Huangfu, S., Wu, X., Schilling, A., Thomale, R., Felser, C., Medvedev, S., Jeschke, H.O., Von Rohr, F.O.

Physical Review B   100 ( 15 )   2019

Quantum and Classical Phases of the Pyrochlore Heisenberg Model with Competing Interactions

Iqbal, Y., Müller, T., Ghosh, P., Gingras, M.J.P., Jeschke, H.O., Rachel, S., Reuther, J., Thomale, R.

Physical Review X   9 ( 1 )   2019

Successive phase transitions and magnetization plateau in the spin-1 triangular-lattice antiferromagnet Ba2La2NiTe2 O12 with small easy-axis anisotropy

Saito, M., Watanabe, M., Kurita, N., Matsuo, A., Kindo, K., Avdeev, M., Jeschke, H.O., Tanaka, H.

Physical Review B   100 ( 6 )   2019

Rashba-like spin splitting along three momentum directions in trigonal layered PtBi<inf>2</inf>

Feng, Y., Jiang, Q., Feng, B., Yang, M., Xu, T., Liu, W., Yang, X., Arita, M., Schwier, E.F., Shimada, K., Jeschke, H.O., Thomale, R., Shi, Y., Wu, X., Xiao, S., Qiao, S., He, S.

Nature Communications   10 ( 1 )   2019

Two magnetization plateaus in the kagome fluoride Cs2LiTi3 F12

Shirakami, R., Ueda, H., Jeschke, H.O., Nakano, H., Kobayashi, S., Matsuo, A., Sakai, T., Katayama, N., Sawa, H., Kindo, K., Michioka, C., Yoshimura, K.

Physical Review B   100 ( 17 )   2019

Frustrated Magnetism in Mott Insulating (V1-xCrx)2 O3

Leiner, J.C., Jeschke, H.O., Valentí, R., Zhang, S., Savici, A.T., Lin, J.Y.Y., Stone, M.B., Lumsden, M.D., Hong, J., Delaire, O., Bao, W., Broholm, C.L.

Physical Review X   9 ( 1 )   2019

An efficient GPU algorithm for tetrahedron-based Brillouin-zone integration Reviewed

Daniel Guterding, Harald O. Jeschke

Computer Physics Communications   231   114 - 121   2018.10

Evidence for Electronically Driven Ferroelectricity in a Strongly Correlated Dimerized BEDT-TTF Molecular Conductor Reviewed

Elena Gati, Jonas K. H. Fischer, Peter Lunkenheimer, David Zielke, Sebastian Köhler, Felizitas Kolb, Hans-Albrecht Krug Von Nidda, Stephen M. Winter, Harald Schubert, John A. Schlueter, Harald O. Jeschke, Roser Valentí, Michael Lang

Physical Review Letters   120 ( 24 )   2018.6

Role of the Open-Shell Character on the Pressure-Induced Conductivity of an Organic Donor–Acceptor Radical Dyad Reviewed

Manuel Souto, Maria Chiara Gullo, HengBo Cui, Nicola Casati, Fabio Montisci, Harald O. Jeschke, Roser Valentí, Imma Ratera, Concepció Rovira, Jaume Veciana

Chemistry - A European Journal   24 ( 21 )   5500 - 5505   2018.4

Origin of the pressure-dependent T-c valley in superconducting simple cubic phosphorus Reviewed

Wu Xianxin, Jeschke Harald O, Di Sante Domenico, von Rohr Fabian O, Cava Robert J, Thomale Ronny

PHYSICAL REVIEW MATERIALS   2 ( 3 )   2018.3

Enhanced superconducting transition temperatures in the rocksalt-type superconductors In1-xSnxTe (x≤0.5) ENHANCED SUPERCONDUCTING TRANSITION ... KOBAYASHI, AI, JESCHKE, and AKIMITSU Reviewed

Kaya Kobayashi, Yukio Ai, Harald O. Jeschke, Jun Akimitsu

Physical Review B   97 ( 10 )   2018.3

Dynamics and fragmentation mechanism of (C5H4CH3)Pt(CH3)3 on SiO2 surfaces Reviewed

Kaliappan Muthukumar, Harald O. Jeschke, Roser Valentí

Beilstein Journal of Nanotechnology   9 ( 1 )   711 - 720   2018

Two-Dome Superconductivity in FeS Induced by a Lifshitz Transition Reviewed

Shimizu Makoto, Takemori Nayuta, Guterding Daniel, Jeschke Harald O

Physical Review Letters   121 ( 13 )   2018

Stability of the spiral spin liquid in MnSc2S4 Reviewed

Iqbal Yasir, Mueller Tobias, Jeschke Harald O, Thomale Ronny, Reuther Johannes

Physical Review B   98 ( 6 )   2018

Signatures of a gearwheel quantum spin liquid in a spin-1/2 pyrochlore molybdate Heisenberg antiferromagnet Reviewed

Yasir Iqbal, Tobias Mueller, Kira Riedl, Johannes Reuther, Stephan Rachel, Roser Valenti, Michel J. P. Gingras, Ronny Thomale, Harald O. Jeschke

PHYSICAL REVIEW MATERIALS   1 ( 7 )   2017.12

Microscopic origin of the mobility enhancement at a spinel/perovskite oxide heterointerface revealed by photoemission spectroscopy Reviewed

P. Schuetz, D. V. Christensen, V. Borisov, F. Pfaff, P. Scheiderer, L. Dudy, M. Zapf, J. Gabel, Y. Z. Chen, N. Pryds, V. A. Rogalev, V. N. Strocov, C. Schlueter, T. -L. Lee, H. O. Jeschke, R. Valenti, M. Sing, R. Claessen

PHYSICAL REVIEW B   96 ( 16 )   2017.10

Basic electronic properties of iron selenide under variation of structural parameters Reviewed

Daniel Guterding, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   96 ( 12 )   2017.9

From magnetic order to spin-liquid ground states on the S=3/2 triangular lattice Reviewed

J. Tapp, C. R. dela Cruz, M. Bratsch, N. E. Amuneke, L. Postulka, B. Wolf, M. Lang, H. O. Jeschke, R. Valenti, P. Lemmens, A. Moeller

PHYSICAL REVIEW B   96 ( 6 )   2017.8

Influence of oxygen vacancies on two-dimensional electron systems at SrTiO3-based interfaces and surfaces Reviewed

Michael Sing, Harald O. Jeschke, Frank Lechermann, Roser Valenti, Ralph Claessen

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS   226 ( 11 )   2457 - 2475   2017.7

J Freezing and Hund's Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models Reviewed

Aaram J. Kim, Harald O. Jeschke, Philipp Werner, Roser Valenti

PHYSICAL REVIEW LETTERS   118 ( 8 )   2017.2

Combined experimental and theoretical studies of pressure effects in La2Sb Reviewed

Stephan Knoener, Elena Gati, Bernd Wolf, Mariano de Souza, Amir Haghighirad, Markus Kuhnt, Wolf Assmus, Harald O. Jeschke, Milan Tomic, Roser Valenti, Michael Lang

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS   254 ( 1 )   2017.1

Nontrivial Role of Interlayer Cation States in Iron-Based Superconductors Reviewed

Daniel Guterding, Harald O. Jeschke, I. I. Mazin, J. K. Glasbrenner, E. Bascones, Roser Valenti

PHYSICAL REVIEW LETTERS   118 ( 1 )   2017.1

Ab initio perspective on structural and electronic properties of iron-based superconductors Reviewed

Daniel Guterding, Steffen Backes, Milan Tomic, Harald O. Jeschke, Roser Valenti

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS   254 ( 1 )   2017.1

Electronic excitations in gamma-Li2IrO3 Reviewed

Ying Li, Stephen M. Winter, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   95 ( 4 )   2017.1

Effects of Lifshitz Transitions on Charge Transport in Magnetic Phases of Fe-Based Superconductors (vol 114, 097003, 2015)

Y. Wang, Maria N. Gastiasoro, Brian M. Andersen, M. Tomic, Harald O. Jeschke, Roser Valenti, Indranil Paul, P. J. Hirschfeld

PHYSICAL REVIEW LETTERS   117 ( 25 )   2016.12

Hubbard band versus oxygen vacancy states in the correlated electron metal SrVO3 Reviewed

S. Backes, T. C. Rodel, F. Fortuna, E. Frantzeskakis, P. Le Fevre, F. Bertran, M. Kobayashi, R. Yukawa, T. Mitsuhashi, M. Kitamura, K. Horiba, H. Kumigashira, R. Saint-Martin, A. Fouchet, B. Berini, Y. Dumont, A. J. Kim, F. Lechermann, H. O. Jeschke, M. J. Rozenberg, R. Valenti, A. F. Santander-Syro

PHYSICAL REVIEW B   94 ( 24 )   2016.12

Reduction of magnetic interlayer coupling in barlowite through isoelectronic substitution Reviewed

Daniel Guterding, Roser Valenti, Harald O. Jeschke

PHYSICAL REVIEW B   94 ( 12 )   2016.9

Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical Reviewed

Manuel Souto, HengBo Cui, Miriam Pena-Alvarez, Valentin G. Baonza, Harald O. Jeschke, Milan Tomic, Roser Valenti, Davide Blasi, Imma Ratera, Concepcio Rovira, Jaume Veciana

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   138 ( 36 )   11517 - 11525   2016.9

Microscopic origin of the charge transfer in single crystals based on thiophene derivatives: A combined NEXAFS and density functional theory approach Reviewed

A. Chernenkaya, A. Morherr, S. Backes, W. Popp, S. Witt, X. Kozina, S. A. Nepijko, M. Bolte, K. Medjanik, G. Ohrwall, C. Krellner, M. Baumgarten, H. J. Elmers, G. Schoenhense, H. O. Jeschke, R. Valent

JOURNAL OF CHEMICAL PHYSICS   145 ( 3 )   2016.7

Ab initio determination of spin Hamiltonians with anisotropic exchange interactions: The case of the pyrochlore ferromagnet Lu2V2O7 Reviewed

Kira Riedl, Daniel Guterding, Harald O. Jeschke, Michel J. P. Gingras, Roser Valenti

PHYSICAL REVIEW B   94 ( 1 )   2016.7

Near-degeneracy of extended s + d(x)(-y)(2)(2) and d(xy) order parameters in quasi-two-dimensional organic superconductors Reviewed

Daniel Guterding, Michaela Altmeyer, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   94 ( 2 )   2016.7

Challenges in design of Kitaev materials: Magnetic interactions from competing energy scales Reviewed

Stephen M. Winter, Ying Li, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   93 ( 21 )   2016.6

Evidence for Eight-Node Mixed-Symmetry Superconductivity in a Correlated Organic Metal Reviewed

Daniel Guterding, Sandra Diehl, Michaela Altmeyer, Torsten Methfessel, Ulrich Tutsch, Harald Schubert, Michael Lang, Jens Mueller, Michael Huth, Harald O. Jeschke, Roser Valenti, Martin Jourdan, Hans-Joachim Elmers

PHYSICAL REVIEW LETTERS   116 ( 23 )   7001 - 7001   2016.6

Hydrostatic pressure response of an oxide-based two-dimensional electron system Reviewed

J. Zabaleta, V. S. Borisov, R. Wanke, H. O. Jeschke, S. C. Parks, B. Baum, A. Teker, T. Harada, K. Syassen, T. Kopp, N. Pavlenko, R. Valenti, J. Mannhart

PHYSICAL REVIEW B   93 ( 23 )   5117 - 5117   2016.6

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model Reviewed

Hunpyo Lee, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   93 ( 22 )   2016.6

Prospect of quantum anomalous Hall and quantum spin Hall effect in doped kagome lattice Mott insulators Reviewed

Daniel Guterding, Harald O. Jeschke, Roser Valenti

SCIENTIFIC REPORTS   6   2016.5

Stabilization of the tetragonal structure in (Ba1-xSrx)CuSi2O6 Reviewed

Pascal Puphal, Denis Sheptyakov, Natalija van Well, Lars Postulka, Ivo Heinmaa, Franz Ritter, Wolf Assmus, Bernd Wolf, Michael Lang, Harald O. Jeschke, Roser Valenti, Raivo Stern, Christian Rueegg, Cornelius Krellner

PHYSICAL REVIEW B   93 ( 17 )   4121 - 4121   2016.5

Magnetism, Spin Texture, and In-Gap States: Atomic Specialization at the Surface of Oxygen-Deficient SrTiO3 Reviewed

Michaela Altmeyer, Harald O. Jeschke, Oliver Hijano-Cubelos, Cyril Martins, Frank Lechermann, Klaus Koepernik, Andres F. Santander-Syro, Marcelo J. Rozenberg, Roser Valenti, Marc Gabay

PHYSICAL REVIEW LETTERS   116 ( 15 )   7203 - 7203   2016.4

Electron dichotomy on the SrTiO3 defect surface augmented by many-body effects Reviewed

Frank Lechermann, Harald O. Jeschke, Aaram J. Kim, Steffen Backes, Roser Valenti

PHYSICAL REVIEW B   93 ( 12 )   2016.3

Monoclinic crystal structure of alpha-RuCl3 and the zigzag antiferromagnetic ground state Reviewed

R. D. Johnson, S. C. Williams, A. A. Haghighirad, J. Singleton, V. Zapf, P. Manuel, I. I. Mazin, Y. Li, H. O. Jeschke, R. Valenti, R. Coldea

PHYSICAL REVIEW B   92 ( 23 )   2015.12

Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu3(OH)6Cl2 Reviewed

Yasir Iqbal, Harald O. Jeschke, Johannes Reuther, Roser Valenti, I. I. Mazin, Martin Greiter, Ronny Thomale

PHYSICAL REVIEW B   92 ( 22 )   2015.12

Effect of magnetic frustration on nematicity and superconductivity in iron chalcogenides Reviewed

J. K. Glasbrenner, I. I. Mazin, Harald O. Jeschke, P. J. Hirschfeld, R. M. Fernandes, Roser Valenti

NATURE PHYSICS   11 ( 11 )   953 - 958   2015.11

Microscopic nature of correlations in multiorbital AFe(2)As(2) (A = K, Rb, Cs): Hund's coupling versus Coulomb repulsion Reviewed

Steffen Backes, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   92 ( 19 )   2015.11

Zigzag antiferromagnetic quantum ground state in monoclinic honeycomb lattice antimonates A(3)Ni(2)SbO(6) (A = Li, Na) Reviewed

E. A. Zvereva, M. I. Stratan, Y. A. Ovchenkov, V. B. Nalbandyan, J. -Y. Lin, E. L. Vavilova, M. F. Iakovleva, M. Abdel-Hafiez, A. V. Silhanek, X. -J. Chen, A. Stroppa, S. Picozzi, H. O. Jeschke, R. Valenti, A. N. Vasiliev

PHYSICAL REVIEW B   92 ( 14 )   2015.10

Barlowite as a canted antiferromagnet: Theory and experiment Reviewed

Harald O. Jeschke, Francesc Salvat-Pujol, Elena Gati, Nguyen Hieu Hoang, Bernd Wolf, Michael Lang, John A. Schlueter, Roser Valenti

PHYSICAL REVIEW B   92 ( 9 )   2015.9

Influence of molecular conformations on the electronic structure of organic charge transfer salts Reviewed

Daniel Guterding, Roser Valenti, Harald O. Jeschke

PHYSICAL REVIEW B   92 ( 8 )   2015.8

Role of layer packing for the electronic properties of the organic superconductor (BEDT-TTF)(2)Ag(CF3)(4)(TCE) Reviewed

Michaela Altmeyer, Roser Valenti, Harald O. Jeschke

PHYSICAL REVIEW B   91 ( 24 )   2015.6

Origin of the superconducting state in the collapsed tetragonal phase of KFe2As2 Reviewed

Daniel Guterding, Steffen Backes, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   91 ( 14 )   2015.4

Analysis of the optical conductivity for A(2)IrO(3) (A = Na, Li) from first principles Reviewed

Ying Li, Kateryna Foyevtsova, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   91 ( 16 )   2015.4

Effects of Lifshitz Transition on Charge Transport in Magnetic Phases of Fe-Based Superconductors Reviewed

Y. Wang, Maria N. Gastiasoro, Brian M. Andersen, M. Tomic, Harald O. Jeschke, Roser Valenti, Indranil Paul, P. J. Hirschfeld

PHYSICAL REVIEW LETTERS   114 ( 9 )   2015.3

Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3 Reviewed

Harald O. Jeschke, Juan Shen, Roser Valenti

NEW JOURNAL OF PHYSICS   17   2015.2

Unified picture of the doping dependence of superconducting transition temperatures in alkali metal/ammonia intercalated FeSe Reviewed

Daniel Guterding, Harald O. Jeschke, P. J. Hirschfeld, Roser Valenti

PHYSICAL REVIEW B   91 ( 4 )   2015.1

Role of layer packing for the electronic properties of the organic superconductor (BEDT-TTF)2Ag(CF3)4(TCE)

Altmeyer, M., Valentí, R., Jeschke, H.O.

Physical Review B - Condensed Matter and Materials Physics   91 ( 24 )   2015

Microscopic nature of correlations in multiorbital AFe2As2 (A=K,Rb,Cs): Hund's coupling versus Coulomb repulsion

Backes, S., Jeschke, H.O., Valentí, R.

Physical Review B - Condensed Matter and Materials Physics   92 ( 19 )   2015

Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane Reviewed

Milan Rudloff, Kai Ackermann, Michael Huth, Harald O. Jeschke, Milan Tomic, Roser Valenti, Benedikt Wolfram, Martin Broering, Michael Bolte, Dennis Chercka, Martin Baumgarten, Klaus Muellen

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   17 ( 6 )   4118 - 4126   2015

Unfolding of electronic structure through induced representations of space groups: Application to Fe-based superconductors Reviewed

Milan Tomic, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   90 ( 19 )   2014.11

Evidence of a field-induced Berezinskii-Kosterlitz-Thouless scenario in a two-dimensional spin-dimer system Reviewed

U. Tutsch, B. Wolf, S. Wessel, L. Postulka, Y. Tsui, H. O. Jeschke, I. Opahle, T. Saha-Dasgupta, R. Valenti, A. Bruehl, K. Removic-Langer, T. Kretz, H. -W. Lerner, M. Wagner, M. Lang

NATURE COMMUNICATIONS   5   2014.10

Correlation effects in the tetragonal and collapsed-tetragonal phase of CaFe2As2 Reviewed

Jean Diehl, Steffen Backes, Daniel Guterding, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   90 ( 8 )   2014.8

Electronic structure and de Haas-van Alphen frequencies in KFe2As2 within LDA plus DMFT Reviewed

Steffen Backes, Daniel Guterding, Harald O. Jeschke, Roser Valenti

NEW JOURNAL OF PHYSICS   16   2014.8

Determination of magnetic form factors for organic charge-transfer salts: A first-principles investigation Reviewed

Francesc Salvat-Pujol, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   90 ( 4 )   2014.7

Theoretical prediction of a strongly correlated Dirac metal Reviewed

I. I. Mazin, Harald O. Jeschke, Frank Lechermann, Hunpyo Lee, Mario Fink, Ronny Thomale, Roser Valenti

NATURE COMMUNICATIONS   5   2014.7

Effect of isoelectronic doping on the honeycomb-lattice iridate A(2)IrO(3) Reviewed

S. Manni, Sungkyun Choi, I. I. Mazin, R. Coldea, Michaela Altmeyer, Harald O. Jeschke, Roser Valenti, P. Gegenwart

PHYSICAL REVIEW B   89 ( 24 )   2014.6

Unveiling the microscopic nature of correlated organic conductors: The case kappa-(ET)(2)Cu[N(CN)(2)]BrxCl1-x Reviewed

Johannes Ferber, Kateryna Foyevtsova, Harald O. Jeschke, Roser Valent

PHYSICAL REVIEW B   89 ( 20 )   2014.5

Dynamics of tungsten hexacarbonyl, dicobalt octacarbonyl, and their fragments adsorbed on silica surfaces Reviewed

Kaliappan Muthukumar, Roser Valenti, Harald O. Jeschke

JOURNAL OF CHEMICAL PHYSICS   140 ( 18 )   2014.5

Field-induced magnetic transitions in Ca-10(Pt3As8)((Fe1-xPtx)(2)As-2)(5) compounds Reviewed

M. D. Watson, A. McCollam, S. F. Blake, D. Vignolles, L. Drigo, I. I. Mazin, D. Guterding, H. O. Jeschke, R. Valenti, N. Ni, R. Cava, A. I. Coldea

PHYSICAL REVIEW B   89 ( 20 )   2014.5

Giant pressure-induced volume collapse in the pyrite mineral MnS2 Reviewed

Simon A. J. Kimber, Ashkan Salamat, Shaun R. Evans, Harald O. Jeschke, Kaliappan Muthukumar, Milan Tomic, Francesc Salvat-Pujol, Roser Valenti, Maria V. Kaisheva, Ivo Zizak, Tapan Chatterji

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA   111 ( 14 )   5106 - 5110   2014.4

Valence bond liquid phase in the honeycomb lattice material Li2RuO3 Reviewed

Simon A. J. Kimber, I. I. Mazin, Juan Shen, Harald O. Jeschke, Sergey V. Streltsov, Dimitri N. Argyriou, Roser Valenti, Daniel I. Khomskii

PHYSICAL REVIEW B   89 ( 8 )   2014.2

Competition between band and Mott insulators in the bilayer Hubbard model: A dynamical cluster approximation study Reviewed

Hunpyo Lee, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   89 ( 3 )   2014.1

Field-induced magnetic transitions in Ca10(Pt3As8)((Fe1 xPtx)2As2)5 compounds

Watson, M.D., McCollam, A., Blake, S.F., Vignolles, D., Drigo, L., Mazin, I.I., Guterding, D., Jeschke, H.O., Valentí, R., Ni, N., Cava, R., Coldea, A.I.

Physical Review B - Condensed Matter and Materials Physics   89 ( 20 )   2014

Nonthermal graphitization of diamond induced by a femtosecond x-ray laser pulse Reviewed

Medvedev N, Jeschke H. O, Ziaja B

PHYSICAL REVIEW B   88 ( 22 )   2013.12

Simulation of electron transport during electron-beam-induced deposition of nanostructures Reviewed

Francesc Salvat-Pujol, Harald O. Jeschke, Roser Valenti

BEILSTEIN JOURNAL OF NANOTECHNOLOGY   4   781 - 792   2013.11

Semiclassical approximation solved by Monte Carlo integration as an efficient impurity solver for dynamical mean field theory and its cluster extensions Reviewed

Hunpyo Lee, Yu-Zhong Zhang, Hoonkyung Lee, Yongkyung Kwon, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   88 ( 16 )   2013.10

Importance of anisotropy in the spin-liquid candidate Me3EtSb[Pd(dmit)(2)](2) Reviewed

A. C. Jacko, Luca F. Tocchio, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   88 ( 15 )   2013.10

Finite temperature and pressure molecular dynamics for BaFe2As2 Reviewed

Steffen Backes, Harald O. Jeschke

PHYSICAL REVIEW B   88 ( 7 )   2013.8

Photon energy dependence of graphitization threshold for diamond irradiated with an intense XUV FEL pulse Reviewed

J. Gaudin, N. Medvedev, J. Chalupsky, T. Burian, S. Dastjani-Farahani, V. Hajkova, M. Harmand, H. O. Jeschke, L. Juha, M. Jurek, D. Klinger, J. Krzywinski, R. A. Loch, S. Moeller, M. Nagasono, C. Ozkan, K. Saksl, H. Sinn, R. Sobierajski, P. Sovak, S. Toleikis, K. Tiedtke, M. Toufarova, T. Tschentscher, V. Vorlicek, L. Vysin, H. Wabnitz, B. Ziaja

PHYSICAL REVIEW B   88 ( 6 )   2013.8

ORBITAL SELECTIVE PHASE TRANSITION Reviewed

Yao Yao, Yu-Zhong Zhang, Hunpyo Lee, Harald O. Jeschke, Roser Valenti, Hai-Qing Lin, Chang-Qin Wu

MODERN PHYSICS LETTERS B   27 ( 20 )   2013.8

First-principles determination of Heisenberg Hamiltonian parameters for the spin-1/2 kagome antiferromagnet ZnCu3(OH)(6)Cl-2 Reviewed

Harald O. Jeschke, Francesc Salvat-Pujol, Roser Valenti

PHYSICAL REVIEW B   88 ( 7 )   2013.8

Ab initio analysis of the tight-binding parameters and magnetic interactions in Na2IrO3 Reviewed

Kateryna Foyevtsova, Harald O. Jeschke, I. I. Mazin, D. I. Khomskii, Roser Valenti

PHYSICAL REVIEW B   88 ( 3 )   2013.7

Origin of the insulating state in honeycomb iridates and rhodates Reviewed

I. I. Mazin, S. Manni, K. Foyevtsova, Harald O. Jeschke, P. Gegenwart, Roser Valenti

PHYSICAL REVIEW B   88 ( 3 )   2013.7

Why MgFeGe is not a superconductor Reviewed

Jeschke Harald O, Mazin I. I, Valenti Roser

PHYSICAL REVIEW B   87 ( 24 )   2013.6

In-plane uniaxial stress effects on the structural and electronic properties of BaFe2As2 and CaFe2As2 Reviewed

Milan Tomic, Harald O. Jeschke, Rafael M. Fernandes, Roser Valenti

PHYSICAL REVIEW B   87 ( 17 )   2013.5

Absence of Metallicity in K-doped Picene: Importance of Electronic Correlations Reviewed

Andreas Ruff, Michael Sing, Ralph Claessen, Hunpyo Lee, Milan Tomic, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW LETTERS   110 ( 21 )   2013.5

Electronic properties of Fabre charge-transfer salts under various temperature and pressure conditions Reviewed

Jacko A. C, Feldner H, Rose E, Lissner F, Dressel M, Valenti Roser, Jeschke Harald O

PHYSICAL REVIEW B   87 ( 15 )   2013.4

Nonthermal phase transitions in semiconductors induced by a femtosecond extreme ultraviolet laser pulse Reviewed

Medvedev Nikita, Jeschke Harald O, Ziaja Beata

NEW JOURNAL OF PHYSICS   15   2013.1

Mott correlated states in the underdoped two-dimensional Hubbard model: Variational Monte Carlo versus a dynamical cluster approximation Reviewed

Tocchio Luca F, Lee Hunpyo, Jeschke Harald O, Valenti Roser, Gros Claudius

PHYSICAL REVIEW B   87 ( 4 )   2013.1

Fermi Surface Topology of LaFePO and LiFeP Reviewed

Johannes Ferber, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW LETTERS   109 ( 23 )   2012.12

Ab initio study of the two-dimensional metallic state at the surface of SrTiO3: Importance of oxygen vacancies Reviewed

Juan Shen, Hunpyo Lee, Roser Valenti, Harald O. Jeschke

PHYSICAL REVIEW B   86 ( 19 )   2012.11

Simulation of structural and electronic properties of amorphous tungsten oxycarbides Reviewed

Kaliappan Muthukumar, Roser Valenti, Harald O. Jeschke

NEW JOURNAL OF PHYSICS   14   2012.11

Na2IrO3 as a Molecular Orbital Crystal Reviewed

I. I. Mazin, Harald O. Jeschke, Kateryna Foyevtsova, Roser Valenti, D. I. Khomskii

PHYSICAL REVIEW LETTERS   109 ( 19 )   2012.11

Momentum spectrometer for electron-electron coincidence studies on superconductors Reviewed

Robert Wallauer, Stefan Voss, Lutz Foucar, Tobias Bauer, Deborah Schneider, Jasmin Titze, Birte Ulrich, Katharina Kreidi, Nadine Neumann, Tilo Havermeier, Markus Schoeffler, Till Jahnke, Achim Czasch, Lothar Schmidt, Amit Kanigel, Juan Carlos Campuzano, Harald Jeschke, Roser Valenti, Andreas Mueller, Goetz Berner, Michael Sing, Ralph Claessen, Horst Schmidt-Boecking, Reinhard Doerner

REVIEW OF SCIENTIFIC INSTRUMENTS   83 ( 10 )   2012.10

Multiferroic FeTe 2O 5Br: Alternating spin chains with frustrated interchain interactions Reviewed

M. Pregelj, H. O. Jeschke, H. Feldner, R. Valentí, A. Honecker, T. Saha-Dasgupta, H. Das, S. Yoshii, T. Morioka, H. Nojiri, H. Berger, A. Zorko, O. Zaharko, D. Arčon

Physical Review B - Condensed Matter and Materials Physics   86 ( 5 )   2012.8

Multiferroic FeTe2O5Br: Alternating spin chains with frustrated interchain interactions Reviewed

M. Pregelj, H. O. Jeschke, H. Feldner, R. Valenti, A. Honecker, T. Saha-Dasgupta, H. Das, S. Yoshii, T. Morioka, H. Nojiri, H. Berger, A. Zorko, O. Zaharko, D. Arcon

PHYSICAL REVIEW B   86 ( 5 )   2012.8

Physisorption of an organometallic platinum complex on silica: an ab initio study Reviewed

Juan Shen, Kaliappan Muthukumar, Harald O. Jeschke, Roser Valenti

NEW JOURNAL OF PHYSICS   14   2012.7

Spontaneous dissociation of Co-2(CO)(8) and autocatalytic growth of Co on SiO2: A combined experimental and theoretical investigation Reviewed

Kaliappan Muthukumar, Harald O. Jeschke, Roser Valenti, Evgeniya Begun, Johannes Schwenk, Fabrizio Porrati, Michael Huth

BEILSTEIN JOURNAL OF NANOTECHNOLOGY   3   546 - 555   2012.7

Dynamical cluster approximation within an augmented plane wave framework: Spectral properties of SrVO3 Reviewed

Hunpyo Lee, Kateryna Foyevtsova, Johannes Ferber, Markus Aichhorn, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   85 ( 16 )   2012.4

Uniaxial versus hydrostatic pressure-induced phase transitions in CaFe2As2 and BaFe2As2 Reviewed

Milan Tomic, Roser Valenti, Harald O. Jeschke

PHYSICAL REVIEW B   85 ( 9 )   2012.3

Orbital-Resolved Partial Charge Transfer from the Methoxy Groups of Substituted Pyrenes in Complexes with Tetracyanoquinodimethane-A NEXAFS Study Reviewed

Katerina Medjanik, Dennis Chercka, Peter Nagel, Michael Merz, Stefan Schuppler, Martin Baumgarten, Klaus Muellen, Sergej A. Nepijko, Hans-Joachim Elmers, Gerd Schoenhense, Harald O. Jeschke, Roser Valenti

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   134 ( 10 )   4694 - 4699   2012.3

LDA plus DMFT study of the effects of correlation in LiFeAs Reviewed

Johannes Ferber, Kateryna Foyevtsova, Roser Valenti, Harald O. Jeschke

PHYSICAL REVIEW B   85 ( 9 )   2012.3

General mechanism for orbital selective phase transitions Reviewed

Yu-Zhong Zhang, Hunpyo Lee, Hai-Qing Lin, Chang-Qin Wu, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   85 ( 3 )   2012.1

Temperature dependence of structural and electronic properties of the spin-liquid candidate kappa-(BEDT-TTF)(2)Cu-2(CN)(3) Reviewed

Harald O. Jeschke, Mariano de Souza, Roser Valenti, Rudra Sekhar Manna, Michael Lang, John A. Schlueter

PHYSICAL REVIEW B   85 ( 3 )   2012.1

Dynamical cluster approximation within an augmented plane wave framework: Spectral properties of SrVO <inf>3</inf>

Lee, H., Foyevtsova, K., Ferber, J., Aichhorn, M., Jeschke, H.O., Valentí, R.

Physical Review B - Condensed Matter and Materials Physics   85 ( 16 )   2012

Interaction of W(CO)(6) with SiO2 surfaces: A density functional study Reviewed

Kaliappan Muthukumar, Ingo Opahle, Juan Shen, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   84 ( 20 )   2011.11

Anisotropic two-orbital Hubbard model: Single-site versus cluster Dynamical Mean-Field Theory Reviewed

Hunpyo Lee, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

ANNALEN DER PHYSIK   523 ( 8-9 )   689 - 697   2011.8

Orbital-selective phase transition induced by different magnetic states: A dynamical cluster approximation study Reviewed

Hunpyo Lee, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   84 ( 2 )   2011.7

Importance of itinerancy and quantum fluctuations for the magnetism in iron pnictides Reviewed

Yu-Zhong Zhang, Hunpyo Lee, Ingo Opahle, Harald O. Jeschke, Roser Valenti

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS   72 ( 5 )   324 - 328   2011.5

Multistep Approach to Microscopic Models for Frustrated Quantum Magnets: The Case of the Natural Mineral Azurite Reviewed

Harald Jeschke, Ingo Opahle, Hem Kandpal, Roser Valenti, Hena Das, Tanusri Saha-Dasgupta, Oleg Janson, Helge Rosner, Andreas Bruehl, Bernd Wolf, Michael Lang, Johannes Richter, Shijie Hu, Xiaoqun Wang, Robert Peters, Thomas Pruschke, Andreas Honecker

PHYSICAL REVIEW LETTERS   106 ( 21 )   2011.5

Determination of effective microscopic models for the frustrated antiferromagnets Cs2CuCl4 and Cs2CuBr4 by density functional methods Reviewed

Kateryna Foyevtsova, Ingo Opahle, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   83 ( 12 )   2011.3

Distinct magnetic regimes through site-selective atom substitution in the frustrated quantum antiferromagnet Cs2CuCl4-xBrx Reviewed

P. T. Cong, B. Wolf, M. de Souza, N. Krueger, A. A. Haghighirad, S. Gottlieb-Schoenmeyer, F. Ritter, W. Assmus, I. Opahle, K. Foyevtsova, H. O. Jeschke, R. Valenti, L. Wiehl, M. Lang

PHYSICAL REVIEW B   83 ( 6 )   2011.2

Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a Cu-II-p-hydroquinonate polymer Reviewed

Ngoc Hien Phan, Ivan Halasz, Ingo Opahle, Edith Alig, Lothar Fink, Jan W. Bats, Pham Thanh Cong, Hans-Wolfram Lerner, Biprajit Sarkar, Bernd Wolf, Harald O. Jeschke, Michael Lang, Roser Valenti, Robert Dinnebier, Matthias Wagner

CRYSTENGCOMM   13 ( 2 )   391 - 395   2011

Analysis of spin-density wave conductivity spectra of iron pnictides in the framework of density functional theory Reviewed

Johannes Ferber, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   82 ( 16 )   2010.10

Local moments and symmetry breaking in metallic PrMnSbO Reviewed

Simon A. J. Kimber, Adrian H. Hill, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti, Clemens Ritter, Inga Schellenberg, Wilfred Hermes, Rainer Poettgen, Dimitri N. Argyriou

PHYSICAL REVIEW B   82 ( 10 )   2010.9

Modulation of pairing interaction in Bi2Sr2CaCu2O8+delta by an O dopant: A density functional theory study Reviewed

Kateryna Foyevtsova, H. C. Kandpal, Harald O. Jeschke, S. Graser, H. -P. Cheng, Roser Valenti, P. J. Hirschfeld

PHYSICAL REVIEW B   82 ( 5 )   2010.8

First principles determination of the model parameters in kappa-(ET)(2)Cu-2(CN)(3) Reviewed

Harald O. Jeschke, Hem C. Kandpal, Ingo Opahle, Yu-Zhong Zhang, Roser Valenti

PHYSICA B-CONDENSED MATTER   405 ( 11 )   S224 - S228   2010.6

Possible origin of the reduced ordered magnetic moment in iron pnictides: A dynamical mean-field theory study Reviewed

Hunpyo Lee, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   81 ( 22 )   2010.6

Can the Mott Insulator TiOCl be Metallized by Doping? A First-Principles Study Reviewed

Yu-Zhong Zhang, Kateryna Foyevtsova, Harald O. Jeschke, Martin U. Schmidt, Roser Valenti

PHYSICAL REVIEW LETTERS   104 ( 14 )   2010.4

Pressure-driven phase transitions in TiOCl and the family (Ca, Sr, Ba)Fe2As2 Reviewed

Yu-Zhong Zhang, Ingo Opahle, Harald O. Jeschke, Roser Valenti

JOURNAL OF PHYSICS-CONDENSED MATTER   22 ( 16 )   2010.4

Itinerant nature of magnetism in iron pnictides: A first-principles study Reviewed

Yu-Zhong Zhang, Ingo Opahle, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   81 ( 9 )   2010.3

Orbital character variation of the Fermi surface and doping dependent changes of the dimensionality in BaFe2-xCoxAs2 from angle-resolved photoemission spectroscopy Reviewed

S. Thirupathaiah, S. de Jong, R. Ovsyannikov, H. A. Duerr, A. Varykhalov, R. Follath, Y. Huang, R. Huisman, M. S. Golden, Yu-Zhong Zhang, H. O. Jeschke, R. Valenti, A. Erb, A. Gloskovskii, J. Fink

PHYSICAL REVIEW B   81 ( 10 )   2010.3

Dynamical Cluster Approximation Study of the Anisotropic Two-Orbital Hubbard Model Reviewed

Hunpyo Lee, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti, Hartmut Monien

PHYSICAL REVIEW LETTERS   104 ( 2 )   2010.1

Microscopic origin of pressure-induced phase transitions in the iron pnictide superconductors AFe(2)As(2): An ab initio molecular dynamics study Reviewed

Yu-Zhong Zhang, Hem C. Kandpal, Ingo Opahle, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   80 ( 9 )   2009.9

Revision of Model Parameters for kappa-Type Charge Transfer Salts: An Ab Initio Study Reviewed

Hem C. Kandpal, Ingo Opahle, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW LETTERS   103 ( 6 )   2009.8

Molecular dynamics simulations of laser-induced damage of nanostructures and solids Reviewed

Harald O. Jeschke, Momar S. Diakhate, Martin E. Garcia

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING   96 ( 1 )   33 - 42   2009.7

Fast impurity solver based on equations of motion and decoupling Reviewed

Qingguo Feng, Yu-Zhong Zhang, Harald O. Jeschke

PHYSICAL REVIEW B   79 ( 23 )   2009.6

Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2 Reviewed

Simon A. J. Kimber, Andreas Kreyssig, Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti, Fabiano Yokaichiya, Estelle Colombier, Jiaqiang Yan, Thomas C. Hansen, Tapan Chatterji, Robert J. McQueeney, Paul C. Canfield, Alan I. Goldman, Dimitri N. Argyriou

NATURE MATERIALS   8 ( 6 )   471 - 475   2009.6

Electronic structure studies of BaFe2As2 by angle-resolved photoemission spectroscopy Reviewed

J. Fink, S. Thirupathaiah, R. Ovsyannikov, H. A. Duerr, R. Follath, Y. Huang, S. de Jong, M. S. Golden, Yu-Zhong Zhang, H. O. Jeschke, R. Valenti, C. Felser, S. Dastjani Farahani, M. Rotter, D. Johrendt

PHYSICAL REVIEW B   79 ( 15 )   2009.4

First principles perspective on the microscopic model for Cs(2)CuCl(4) and Cs(2)CuBr(4) Reviewed

K. Foyevtsova, Y. Zhang, H. O. Jeschke, R. Valenti

HIGHLY FRUSTRATED MAGNETISM 2008 (HFM 2008)   145   2009

Microscopic model for transitions from Mott to spin-Peierls insulator in TiOCl Reviewed

Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW B   78 ( 20 )   2008.11

Two pressure-induced transitions in TiOCl: Mott insulator to anisotropic metal Reviewed

Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti

PHYSICAL REVIEW LETTERS   101 ( 13 )   2008.9

Microscopic modeling of a spin crossover transition Reviewed

Harald O. Jeschke, L. Andrea Salguero, Badiur Rahaman, Christian Buchsbaum, Volodymyr Pashchenko, Martin U. Schmidt, Tanusri Saha-Dasgupta, Roser Valenti

NEW JOURNAL OF PHYSICS   9   2007.12

Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X = Cl, Br and Cu4Te5O12Cl4 Reviewed

R. Valenti, T. Saha-Dasgupta, H. O. Jeschke, B. Rahaman, H. Rosner, P. Lemmens, R. Takagi, M. Johnsson

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS   460 ( SPEC. ISS. )   462 - 463   2007.9

Microscopic investigation of laser-induced structural changes in single-wall carbon nanotubes Reviewed

Harald O. Jeschke, Aldo H. Romero, Martin E. Garcia, Angel Rubio

PHYSICAL REVIEW B   75 ( 12 )   2007.3

Cu-based metalorganic systems: an ab initio study of the electronic structure Reviewed

L. Andrea Salguero, Harald O. Jeschke, Badiur Rahaman, Tanusri Saha-Dasgupta, Christian Buchsbaum, Martin U. Schmidt, Roser Valenti

NEW JOURNAL OF PHYSICS   9   2007.2

Microscopic model for the frustrated CuII-spin tetrahedron-based Cu4Te5O12X4 (X = Cl, Br) systems Reviewed

Badiur Rahaman, Harald O. Jeschke, Roser Valenti, T. Saha-Dasgupta

PHYSICAL REVIEW B   75 ( 2 )   2007.1

Classical and ab initio preparation of reliable structures for polymeric coordination compounds Reviewed

Harald O. Jeschke, L. Andrea Salguero, Roser Valenti, Christian Buchsbaum, Martin U. Schmidt, Matthias Wagner

COMPTES RENDUS CHIMIE   10 ( 1-2 )   82 - 88   2007.1

Breathing coherent phonons and caps fragmentation in carbon nanotubes following ultrafast laser pulses Reviewed

Traian Dumitrica, Martin E. Garcia, Harald O. Jeschke, Boris I. Yakobson

PHYSICAL REVIEW B   74 ( 19 )   2006.11

Large-amplitude coherent phonons and inverse Stone-Wales transitions in graphitic systems with defects interacting with ultrashort laser pulses Reviewed

Felipe Valencia, Aldo H. Romero, Harald O. Jeschke, Martin E. Garcia

PHYSICAL REVIEW B   74 ( 7 )   2006.8

Laser manipulation of nanodiamonds Reviewed

AH Romero, HO Jeschke, ME Garcia

COMPUTATIONAL MATERIALS SCIENCE   35 ( 3 )   179 - 182   2006.3

Femtosecond laser nanosurgery of defects in carbon nanotubes Reviewed

AH Romero, ME Garcia, F Valencia, H Terrones, M Terrones, HO Jeschke

NANO LETTERS   5 ( 7 )   1361 - 1365   2005.7

Decoupling method for dynamical mean-field theory calculations Reviewed

HO Jeschke, G Kotliar

PHYSICAL REVIEW B   71 ( 8 )   2005.2

Laser-induced coherent phonons in graphite and carbon nanotubes: model and simulations Reviewed

ME Garcia, T Dumitrica, HO Jeschke

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING   79 ( 4-6 )   855 - 857   2004.9

Atomistic simulation of the laser induced damage in single wall carbon nanotubes: Diameter and chirality dependence Reviewed

AH Romero, HO Jeschke, A Rubio, ME Garcia

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING   79 ( 4-6 )   899 - 901   2004.9

Selective cap opening in carbon nanotubes driven by laser-induced coherent phonons Reviewed

T Dumitrica, ME Garcia, HO Jeschke, BI Yakobson

PHYSICAL REVIEW LETTERS   92 ( 11 )   2004.3

Properties of liquid silicon observed by time-resolved x-ray absorption spectroscopy Reviewed

SL Johnson, PA Heimann, AM Lindenberg, HO Jeschke, ME Garcia, Z Chang, RW Lee, JJ Rehr, RW Falcone

PHYSICAL REVIEW LETTERS   91 ( 15 )   2003.10

Theoretical approach to the laser-induced melting of graphite under different pressure conditions Reviewed

ME Garcia, HO Jeschke

APPLIED SURFACE SCIENCE   208 ( 1 )   61 - 70   2003.3

Properties of liquid silicon and carbon studied by ultrafast time-resolved x-ray absorption spectroscopy Reviewed

SL Johnson, PA Heimann, AM Lindenberg, AG MacPhee, RW Falcone, HO Jeschke, M Garcia, JJ Rehr, RW Lee, Z Chang

ULTRAFAST PHENOMENA XIII   71   39 - 41   2003

Laser ablation thresholds of silicon for different pulse durations: theory and experiment Reviewed

HO Jeschke, ME Garcia, M Lenzner, J Bonse, J Kruger, W Kautek

APPLIED SURFACE SCIENCE   197   839 - 844   2002.9

Theoretical description of the ultrafast ablation of diamond and graphite: dependence of thresholds on pulse duration Reviewed

HO Jeschke, ME Garcia

APPLIED SURFACE SCIENCE   197   107 - 113   2002.9

Time-dependent energy absorption changes during ultrafast lattice deformation Reviewed

HO Jeschke, ME Garcia, KH Bennemann

JOURNAL OF APPLIED PHYSICS   91 ( 1 )   18 - 23   2002.1

Nonthermal fragmentation of C-60 Reviewed

HO Jeschke, ME Garcia, JA Alonso

CHEMICAL PHYSICS LETTERS   352 ( 3-4 )   154 - 162   2002.1

Theory for the ultrafast ablation of graphite films Reviewed

HO Jeschke, ME Garcia, KH Bennemann

PHYSICAL REVIEW LETTERS   87 ( 1 )   2001.7

Femtosecond laser-induced ablation of graphite Reviewed

K Sokolowski-Tinten, S Kudryashov, Temnov, V, J Bialkowski, D von der Linde, A Cavalleri, HO Jeschke, ME Garcia, KH Bennemann

ULTRAFAST PHENOMENA XII   66   425 - 427   2001

Theory for the ultrafast dynamics of excited clusters: interplay between elementary excitations and atomic structure Reviewed

ME Garcia, HO Jeschke, Grigorenko, I, KH Bennemann

APPLIED PHYSICS B-LASERS AND OPTICS   71 ( 3 )   361 - 371   2000.9

Theory for laser-induced ultrafast phase transitions in carbon Reviewed

HO Jeschke, ME Garcia, KH Bennemann

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING   69 ( 7 )   S49 - S53   1999.12

Microscopic analysis of the laser-induced femtosecond graphitization of diamond Reviewed

HO Jeschke, ME Garcia, KH Bennemann

PHYSICAL REVIEW B   60 ( 6 )   R3701 - R3704   1999.8

Theory for the ultrafast structural response of optically excited small clusters: Time dependence of the ionization potential Reviewed

HO Jeschke, ME Garcia, KH Bennemann

PHYSICAL REVIEW A   54 ( 6 )   R4601 - R4604   1996.12

Analysis of the ultrafast dynamics of the silver trimer upon photodetachment Reviewed

HO Jeschke, ME Garcia, KH Bennemann

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS   29 ( 14 )   L545 - L549   1996.7

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