THEORY OF ELECTRONIC CORRELATIONS AND COLLECTIVE PHENOMENA

Group of Jan Kuneš

2017

Preprints

X-ray spectroscopy of rare-earth nickelate LuNiO3: LDA+DMFT study
Mathias Winder, Atsushi Hariki, and Jan Kuneš,
Opens external link in new window arXiv 2004, 01428


Ferromagnetism of LaCoO3 films
Andrii Sotnikov, Kyohoon Ahn, and Jan Kuneš,
Opens external link in new window arXiv 2004, 00488


Melting of excitonic dispersion in LaCoO3: theory and experiment
Atsushi Hariki, Ru-Pan Wang, Andrii Sotnikov, Keisuke Tomiyasu, Davide Betto, Nicholas B. Brookes, Yohei Uemura, Mahnaz Ghiasi, Frank M. F. de Groot, and Jan Kuneš,
Opens external link in new window arXiv 1912, 02564


Metal-insulator transition in CaCu3Fe4O12
Atsushi Hariki, Mathias Winder, and Jan Kuneš,
Opens external link in new window arXiv 1909, 12126


2020

2020

LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
Atsushi Hariki, Mathias Winder, Takayuki Uozumi, and Jan Kuneš,
Opens external link in new window Phys. Rev. B 101, 115130 (2020)


Sparse sampling and tensor network representation of two-particle Green's functions
Hiroshi Shinaoka, Dominique Geffroy, Markus Wallerberger, Junya Otsuki, Kazuyoshi Yoshimi, Emanuel Gull, and Jan Kuneš,
Opens external link in new window SciPost Phys. 8 , 012 (2020)


2019

2019

Charge-transfer effect in hard x-ray 1s and 2p photoemission spectra: LDA+DMFT and cluster-model analysis
Mahnaz Ghiasi, Atsushi Hariki, Mathias Winder, Jan Kuneš, Anna Regoutz, Tien-Lin Lee, Yongfeng Hu, Jean-Pascal Rueff, and Frank M.F. de Groot,
Opens external link in new window Phys. Rev. B 100, 075146 (2019)


Redox Behaviorof Solid Solutionsin the SrFe1-xCuxO3-δ Systemfor Applicationin Thermochemical Oxygen Storageand Air Separation
Josua Vieten, Brendan Bulfin, David E. Starr, Atsushi Hariki, Frank M.F. de Groot, Anahita Azarpira, Carolin Zachäus, Michael Hävecker, Katarzyna Skorupska, Nicole Knoblauch, Martin Schmücker, Martin Roeb, and Christian Sattler,
Opens external link in new window Energy Technol. 7, 131–139 (2019)


Pressure-induced spin-state ordering in Sr2CoO3F
Juan Fernández Afonso, Andrii Sotnikov, Atsushi Hariki, and Jan Kuneš,
Opens external link in new window Phys. Rev. B 99, 205118 (2019)


Antiferromagnetism in RuO2 as d-wave Pomeranchuk instability
Kyo-Hoon Ahn, Atsushi Hariki, Kwan-Woo Lee, and Jan Kuneš,
Opens external link in new window Phys. Rev. B 99, 184432 (2019)


Chemical pressure effect on the optical conductivity of the nodal-line semimetals ZrSiY (Y=S, Se, Te) and ZrGeY (Y=S, Te)
J. Ebad-Allah, J. Fernández Afonso, M. Krottenmüller, J. Hu, Y. L. Zhu, Z. Mao, J. Kuneš, and C. A. Kuntscher,
Opens external link in new window Phys. Rev. B 99, 125154 (2019)


Collective modes in ordered Mott systems: dynamical mean-field study
D. Geffroy, J. Kaufmann, A. Hariki, P. Gunacker, A. Hausoel, and J. Kuneš,
Opens external link in new window Phys. Rev. Lett. 122, 127601 (2019)


2017

2018

Analysis of the crystal electric field parameters of YbNi4P2
Z. Huesges, K. Kliemt, C. Krellner, R. Sarkar, H-H. Klauß, C. Geibel, M. Rotter, P. Novak, J. Kuneš, and O. Stockert,
Opens external link in new window New J. Phys. 20, 073021 (2018)


Re-examining the quadratic approximation in theory of a weakly interacting Bose gas with condensate: the role of nonlocal interaction potentials
M. S. Bulakhov, A. S. Peletminskii, S. V. Peletminskii, Yu. V. Slyusarenko, and A. G. Sotnikov,
Opens external link in new window J. Phys. B: At. Mol. Opt. Phys. 51, 205302 (2018)


Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-Ray Scattering
Atsushi Hariki, Mathias Winder, and Jan Kuneš,
Opens external link in new window Phys. Rev. Lett. 121, 126403 (2018)


Excitonic dispersion of the intermediate-spin state in LaCoO3 revealed by resonant inelastic X-ray scattering
Ru-Pan Wang, Atsushi Hariki, Andrii Sotnikov, Federica Frati, Jun Okamoto, Hsiao-Yu Huang, Amol Singh, Di-Jing Huang, Keisuke Tomiyasu, Chao-Hung Du, Jan Kuneš, and Frank M. F. de Groot,
Opens external link in new window Phys. Rev. B 90, 035149 (2018)


Suppression and revival of long-range ferromagnetic order in the multiorbital Fermi-Hubbard model
Andrii Sotnikov, Agnieszka Cichy, and Jan Kuneš,
Opens external link in new window Phys. Rev. B 97, 235157 (2018)


Excitonic magnet in external field: complex order parameter and spin currents
D. Geffroy, A. Hariki, and Jan Kuneš,
Opens external link in new window Phys. Rev. B 97, 155114 (2018)


Theoretical investigation of excitonic magnetism in LaSrCoO4
J. Fernandez Afonso, A. Sotnikov and Jan Kuneš,
Opens external link in new window J. Phys.: Condens. Matter 30, 135603 (2018)


2017

2017

Competing phases in the model of Pr-based cobaltites
A. Sotnikov and J. Kuneš,
Opens external link in new window Phys. Rev. B 96, 245102 (2017)


DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu2O6
A. Hariki, A. Hausoel, G. Sangiovanni and J. Kuneš,
Opens external link in new window Phys. Rev. B 96, 155135 (2017)


Control of antiferromagnetic spin axis orientation in bilayer Fe/CuMnAs films
P. Wadley, K.W. Edmonds, M.R. Shahedkhah, R.P. Campion, B.L. Gallagher, J. Zelezny, J. Kuneš, V. Novak, T. Jungwirth, V. Saidl, P. Nemec, F. Maccherozzi and S. S. Dhesi,
Opens external link in new window Scientific Reports 7, 11147 (2017)


LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
A. Hariki, T. Uozumi and J. Kuneš,
Opens external link in new window Phys. Rev. B 96, 045111 (2017)


LDA+DMFT approach to ordering phenomena and the structural stability of correlated materials
J. Kuneš, I. Leonov, P. Augustinsky, V. Krapek, M. Kollar and D. Vollhardt,
Opens external link in new window EPJ ST 226(11), 2641-2675 (2017)


Excitonic magnetism in d6 perovskites
J. Fernández Afonso and J. Kuneš,
Opens external link in new window Phys. Rev. B 95, 115131 (2017)


Breaking of SU(4) symmetry and interplay between strongly correlated phases in the Hubbard model
A. Golubeva, A. Sotnikov, A. Cichy, J. Kuneš and W. Hofstetter,
Opens external link in new window Phys. Rev. B 95, 125108 (2017)


Calculated g-factors of 5d double perovskites Ba2NaOsO6 and Ba2YOsO6
K-H. Ahn, K. Pajskr, K-W. Lee and J. Kuneš,
Opens external link in new window Phys. Rev. B 95, 064416 (2017)


Optical determination of the Néel vector in a CuMnAs thin-film antiferromagnet
V. Saidl, P. Němec, P. Wadley, V. Hills, R. P. Campion, V. Novák, K. W. Edmonds, F. Maccherozzi, S. S. Dhesi, B. L. Gallagher, F. Trojánek, J. Kuneš, J. Železný, P. Malý and T. Jungwirth,
Opens external link in new window Nature Photonics 11, 91-96 (2017)


Chemical potentials and thermodynamic characteristics of the ideal Bose and Fermi gases in the region of quantum degeneracy
A.G. Sotnikov, K.V. Sereda, and Y.V. Slyusarenko,
Opens external link in new window Low Temp. Phys. 43, 144 (2017)


2016

2016

Field-induced exciton condensation in LaCoO3
A. Sotnikov and J. Kuneš,
Opens external link in new window Scientific Reports 6, 30510 (2016)


Spontaneous Spin Textures in Multiorbital Mott Systems
J. Kuneš and D. Geffroy,
Opens external link in new window Phys. Rev. Lett. 116, 256403 (2016)


Electrical switching of an antiferromagnet
P. Wadley, B. Howells, J. Železný, C. Andrews, V. Hills, R. P. Campion, V. Novák, K. Olejník, F. Maccherozzi, S. S. Dhesi, S. Y. Martin, T. Wagner, J. Wunderlich, F. Freimuth, Y. Mokrousov, J. Kuneš, J. S. Chauhan, M. J. Grzybowski, A. W. Rushforth, K. W. Edmonds, B. L. Gallagher and T. Jungwirth,
Opens external link in new window Science 351, 6273 587-590 (2016)


On the possibility of excitonic magnetism in Ir double perovskites
K. Pajskr, P. Novák, V. Pokorný, J. Kolorenč, R. Arita and J . Kuneš,
Opens external link in new window Phys. Rev. B 93, 035129 (2016)


woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement
E. Assmann, P. Wissgott, J. Kuneš, A. Toschi, P. Blaha and K. Held,
Opens external link in new window Computer Physics Communications 202, 1-11 (2016)


Unique effects in a response of ultracold atomic gases of alkali-metal atoms in the state with a Bose-Einstein condensate to the perturbation by an external electromagnetic field
Yu.V. Slyusarenko and A.G. Sotnikov,
Opens external link in new window Visn. Nac. Acad. Nauk Ukr. 7, 19 (2016)


Orbital magnetism of ultracold fermionic gases in a lattice: Dynamical mean-field approach
A. Cichy and A Sotnikov,
Opens external link in new window Phys. Rev. A 93, 053624 (2016)


Perspectives of optical lattices with state-dependent tunneling in approaching quantum magnetism in the presence of the external harmonic trapping potential
A. Sotnikov,
Opens external link in new window Phys. Lett. A 380, 1184 (2016)


2015

2015

Excitonic condensation in systems of strongly correlated electrons
J. Kuneš,
Opens external link in new window Journal of Physics: Condensed Matter 27, (33) 333201 (2015)


Numerical calculation of spectral functions of the Bose-Hubbard model using bosonic dynamical mean-field theory
J. Panas, A. Kauch, J. Kuneš, D. Vollhardt and K. Byczuk,
Opens external link in new window Phys. Rev. B 92, 045102 (2015)


Doping-dependent bandwidth renormalization and spin-orbit coupling in (Sr1-xLax)2Rho4
K.-H. Ahn, K.-W. Lee, and J. Kuneš,
Opens external link in new window Journal of Physics: Condensed Matter 27, (8) 085602 (2015)


2014

2014

Low-temperature properties of single-crystal CrB2
A. Bauer, A. Regnat, C. G. F. Blum, S. Gottlieb-Schönmeyer, B. Pedersen, M. Meven, S. Wurmehl, J. Kuneš and C. Pfleiderer,
Opens external link in new window Phys. Rev. B 90, 064414 (2014)


Crystal field of rare earth impurities in LaF3
P. Novák, J. Kuneš and K. Knížek,
Opens external link in new window Optical Materials 37, 414-418 (2014)


Phase diagram of exciton condensate in doped two-band Hubbard model
J. Kuneš,
Opens external link in new window Phys. Rev. B 90, 235140 (2014)


Excitonic condensation of strongly correlated electrons: The case of Pr0.5Ca0.5CoO3
J. Kuneš and P. Augustinský,
Opens external link in new window Phys. Rev. B 90, 235112 (2014)


Mott versus Slater-Type Metal-Insulator Transition in Sr2IrO4 and Ba2IrO4
R. Arita, J. Kuneš, P. Augustinský, A. V. Kozhevnikov , A. G. Eguiluz  and M. Imada,
Opens external link in new window JPSCP 3, 013023 (2014)


Room-temperature antiferromagnetic memory resistor
X. Marti, I. Fina, C. Frontera, Jian Liu, P. Wadley, Q. He, R. J. Paull, J. D. Clarkson, J. Kudrnovský, I. Turek, J. Kuneš, D. Yi, J-H. Chu, C. T. Nelson, L. You, E. Arenholz, S. Salahuddin, J. Fontcuberta, T. Jungwirth and R. Ramesh,
Opens external link in new window Nature Materials 13, 367-374 (2014)


Excitonic instability at the spin-state transition in the two-band Hubbard model
J. Kuneš and P. Augustinský,
Opens external link in new window Phys. Rev. B 89, 115134 (2014)


2013

2013

Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study
P. Augustinský, V. Křápek and J Kuneš,
Opens external link in new window Phys. Rev. Lett. 110, 267204 (2013)


Crystal field and magnetism of Pr3+ and Nd3+ ions in orthorhombic perovskites
P Novák, K Knížek, M Maryško, Z Jirák and J Kuneš,
Opens external link in new window Journal of Physics: Condensed Matter 25, (44) 446001 (2013)


de Haas-van alphen effect and Fermi surface properties of single-crystal CrB2
M. Brasse, L. Chioncel, J. Kuneš, A. Bauer, A. Regnat, C. G. F. Blum, S. Wurmehl, C. Pfleiderer, M. A. Wilde and D. Grundler,
Opens external link in new window Phys. Rev. B 88, 155138 (2013)


Atomically resolved spectroscopic study of Sr2IrO4: Experiment and theory
Q. Li, G. Cao, S. Okamoto, J. Yi, W. Lin, B. C. Sales, J. Yan, R. Arita, J. Kuneš, A. V. Kozhevnikov, A. G. Eguiluz, M. Imada, Z. Gai, M. Pan and D. G. Mandrus,
Opens external link in new window Scientific Reports 3, 3073 (2013)


Crystal field parameters with Wannier functions: Application to rare-earth aluminates
P. Novák, K. Knížek and J. Kuneš,
Opens external link in new window Phys. Rev. B 87, 205139 (2013)


Improved green’s function measurement for hybridization expansion quantum Monte Carlo
P. Augustinský and J. Kuneš,
Opens external link in new window Computer Physics Communications 184, 2119-2126 (2013)


2012

2012

Spin state transition and covalent bonding in LaCoO3
V. Křápek, P. Novák, J. Kuneš, D. Novoselov, Dm. M. Korotin and V. I. Anisimov,
Opens external link in new window Phys. Rev. B 86, 195104 (2012)


Dipole matrix element approach versus Peierls approximation for optical conductivity
P. Wissgott, J. Kuneš, A. Toschi and K. Held,
Opens external link in new window Phys. Rev. B 85, 205133 (2012)


Spin State of Negative Charge-Transfer Material SrCoO3
J. Kuneš, V. Křápek, N. Parragh, G. Sangiovanni, A. Toschi and A. V. Kozhevnikov,
Opens external link in new window Phys. Rev. Lett. 109, 117206 (2012)


Quantification of Correlations in Quantum Many-Particle Systems
K. Byczuk, J. Kuneš, W. Hofstetter and D. Vollhardt,
Opens external link in new window Phys. Rev. Lett. 108, 087004 (2012)


Ab initio Studies on the Interplay between Spin-Orbit Interaction and Coulomb Correlation in Sr2IrO4 and Ba2IrO4
R. Arita, J. Kuneš, A. V. Kozhevnikov, A. G. Eguiluz and M. Imada,
Opens external link in new window Phys. Rev. Lett. 108, 086403 (2012)


2011

2011

Various scenarios of metal-insulator transition in strongly correlated materials
J. Kuneš and V.I. Anisimov.
Opens external link in new window Annalen der Physik 523, 682-688 195104 (2011)


Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems
J. Kuneš and V. Křápek.
Opens external link in new window Phys. Rev. Lett. 106, 256401 (2011)


Efficient treatment of two-particle vertices in dynamical mean-field theory
Jan Kuneš,
Opens external link in new window Phys. Rev. B 83, 085102 (2011)


2010

2010

Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
J. Kuneš, R. Arita, P. Wissgott, A. Toschi, H. Ikeda and K. Held,
Opens external link in new window Computer Physics Communications 181, 1888-1895 (2010)


Dynamical mean-field approach to materials with strong electronic correlations
J. Kuneš, I. Leonov, M. Kollar, K. Byczuk, V. I. Anisimov and D. Vollhardt,
Opens external link in new window Eur. Phys. J. Special Topics 180, 5-28 (2010)


Doping dependence of spin fluctuations and electron correlations in iron pnictides
H. Ikeda, R. Arita and J. Kuneš,
Opens external link in new window Phys. Rev. B 82, 024508 (2010)


Phase diagram and gap anisotropy in iron-pnictide superconductors
H. Ikeda, R. Arita and J. Kuneš,
Opens external link in new window Phys. Rev. B 81, 054502 (2010)


Metal-insulator transition in NiS2-xSex
J. Kuneš, L. Baldassarre, B. Schächner, K. Rabia, C. A. Kuntscher, Dm. M. Korotin, V. I. Anisimov, J. A. McLeod, E. Z. Kurmaev and A. Moewes,
Opens external link in new window Phys. Rev. B 81, 035122 (2010)