Preprints

Metal-insulator transition in CaCu₃Fe₄O₁₂
A. Hariki, M. Winder and J. Kuneš,
arXiv:1909.12126, opens an external URL in a new window

2023

Single- and multi-magnon dynamics in antiferromagnetic Fe₂O₃ thin films
J. Li, Y. Gu, Y. Takahashi, K. Higashi, T. Kim, Y. Cheng, F. Yang, J. Kuneš, J. Pelliciari, A. Hariki, V. Bisogni,
Phys. Rev. X 13, 011012 (2023), opens an external URL in a new window , opens an external URL in a new window

2022

Kondo quasiparticle dynamics observed by resonant inelastic x-ray scattering
M. C. Rahn, K. Kummer, A. Hariki, K.-H. Ahn, J. Kuneš, A. Amorese, J. D. Denlinger, D.-H. Lu, M. Hashimoto, E. Rienks, M. Valvidares, F. Haslbeck, D. D. Byler, K. J. McClellan, E. D. Bauer, J.-X. Zhu, C. H. Booth, A. D. Christianson, J. M. Lawrence, F. Ronning, M. Janoschek, Nature Communications 13, 6129 (2022), opens an external URL in a new window

CaCu₃Ru₄O₁₂: a high Kondo-temperature transition metal oxide
D. Takegami, C. Y. Kuo, K. Kasebayashi, J.-G. Kim, C. F. Chang, C. E. Liu, C. N. Wu, D. Kasinathan, S. G. Altendorf, K. Hoefer, F. Meneghin, A. Marino, Y. F. Liao, K. D. Tsuei, C. T. Chen, K.-T. Ko, A. Günther, S. G. Ebbinghaus, J. W. Seo, D. H. Lee, G. Ryu, A. C. Komarek, S. Sugano, Y. Shimakawa, A. Tanaka, T. Mizokawa, J. Kuneš, L. H. Tjeng, and A. Hariki,
Phys. Rev. X 12, 011017 (2022), opens an external URL in a new window , opens an external URL in a new window

2021

Valence skipping, internal doping, and site-selective Mott transition in PbCoO₃ under pressure
A. Hariki, K.-H. Ahn and J. Kuneš,
Phys. Rev. B 104, 235101 (2021), opens an external URL in a new window , opens an external URL in a new window

Core-level x-ray spectroscopy of infinite-layer nickelate: LDA+DMFT study
K. Higashi, M. Winder, J. Kuneš, and A. Hariki,
Phys. Rev. X 11, 041009 (2021), opens an external URL in a new window , opens an external URL in a new window

Antiferromagnetic magnons and local anisotropy: dynamical mean-field study
A. Niyazi, D. Geffroy and J. Kuneš,
Phys. Rev. B 104, 075152 (2021), opens an external URL in a new window

Pressure-Induced Excitations in the Out-of-Plane Optical Response of the Nodal-Line Semimetal ZrSiS
J. Ebad-Allah, S. Rojewski, M. Vöst, G. Eickerling, W. Scherer, E. Uykur, Raman Sankar, L. Varrassi, C. Franchini, K.-H. Ahn, J. Kuneš, and C. Kuntscher,
Phys. Rev. Lett. 127, 076402 (2021), opens an external URL in a new window

2020

Dynamical response and competing orders in two-band Hubbard model
Abuduaini Niyazi, Dominique Geffroy, and Jan Kuneš,
Phys. Rev. B 102, 085159 (2020), opens an external URL in a new window

X-ray spectroscopy of rare-earth nickelate LuNiO₃: LDA+DMFT study
Mathias Winder, Atsushi Hariki, and Jan Kuneš,
Phys. Rev. B 102, 085155 (2020) , opens an external URL in a new window

Damping of spinful excitons in LaCoO₃ by thermal fluctuations: 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,
Phys. Rev. B 101, 245162 (2020) , opens an external URL in a new window

Ferromagnetism of LaCoO₃ films
Andrii Sotnikov, Kyohoon Ahn, and Jan Kuneš,
SciPost Phys. 8, 082 (2020) , opens an external URL in a new window

Orbital ordering of ultracold alkaline-earth atoms in optical lattices
Andrii Sotnikov, Nelson Darkwah Oppong, Yeimer Zambrano, and Agnieszka Cichy,
Phys. Rev. Research 2, 023188 (2020) , opens an external URL in a new window

LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
Atsushi Hariki, Mathias Winder, Takayuki Uozumi, and Jan Kuneš,
Phys. Rev. B 101, 115130 (2020) (Editor's Suggestion), opens an external URL in a new window

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,
SciPost Phys. 8, 012 (2020) , opens an external URL in a new window

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,
Phys. Rev. B 100, 075146 (2019), opens an external URL in a new window

Redox Behaviorof Solid Solutionsin the SrFe_1-xCu_xO_3-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,
Energy Technol. 7, 131–139 (2019), opens an external URL in a new window

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

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

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,
Phys. Rev. B 99, 125154 (2019), opens an external URL in a new window

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

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,
New J. Phys. 20, 073021 (2018), opens an external URL in a new window

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,
J. Phys. B: At. Mol. Opt. Phys. 51, 205302 (2018), opens an external URL in a new window

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

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,
Phys. Rev. B 90, 035149 (2018), opens an external URL in a new window

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

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

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

2017

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

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

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,
Scientific Reports 7, 11147 (2017), opens an external URL in a new window

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

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,
EPJ ST 226(11), 2641-2675 (2017), opens an external URL in a new window

Excitonic magnetism in d⁶ perovskites
J. Fernández Afonso and J. Kuneš,
Phys. Rev. B 95, 115131 (2017), opens an external URL in a new window

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,
Phys. Rev. B 95, 125108 (2017), opens an external URL in a new window

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

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,
Nature Photonics 11, 91-96 (2017), opens an external URL in a new window

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,
Low Temp. Phys. 43, 144 (2017), opens an external URL in a new window

2016

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

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

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,
Science 351, 6273 587-590 (2016), opens an external URL in a new window

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

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

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,
Visn. Nac. Acad. Nauk Ukr. 7, 19 (2016), opens an external URL in a new window

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

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

2015

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

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,
Phys. Rev. B 92, 045102 (2015), opens an external URL in a new window

Doping-dependent bandwidth renormalization and spin-orbit coupling in (Sr_1-xLa_x)₂Rho₄
K.-H. Ahn, K.-W. Lee, and J. Kuneš,
Journal of Physics: Condensed Matter 27, (8) 085602 (2015), opens an external URL in a new window

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,
Phys. Rev. B 90, 064414 (2014), opens an external URL in a new window

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

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

Excitonic condensation of strongly correlated electrons: The case of Pr_0.5Ca_0.5CoO₃
J. Kuneš and P. Augustinský,
Phys. Rev. B 90, 235112 (2014), opens an external URL in a new window

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,
JPSCP 3, 013023 (2014), opens an external URL in a new window

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,
Nature Materials 13, 367-374 (2014), opens an external URL in a new window

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

2013

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

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

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,
Phys. Rev. B 88, 155138 (2013), opens an external URL in a new window

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,
Scientific Reports 3, 3073 (2013), opens an external URL in a new window

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

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

2012

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

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

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

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

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,
Phys. Rev. Lett. 108, 086403 (2012), opens an external URL in a new window

2011

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

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

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

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,
Computer Physics Communications 181, 1888-1895 (2010), opens an external URL in a new window

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

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

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

Metal-insulator transition in NiS_2-xSe_x
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,
Phys. Rev. B 81, 035122 (2010), opens an external URL in a new window