259 citations · 853 across the 26 of their papers we have counts for
13 papers · 1 filter
Hidden orders in spin-orbit entangled correlated insulators
Leonid V. Pourovskii, Dario Fiore Mosca, Lorenzo Celiberti +3
In many materials, ordered phases and their order parameters are easily characterized by standard experimental methods. "Hidden order" refers to a phase transition in which an orde…
High thermoelectric power factor through topological flat bands
Fabian Garmroudi, Illia Serhiienko, Simone Di Cataldo +11
Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics…
Non-collinear magnetism engendered by a hidden another order
Sergii Khmelevskyi, Leonid V. Pourovskii
Standard microscopic approach to magnetic orders is based on assuming a Heisenberg form for inter-atomic exchange interactions. These interactions are considered as a driving force…
Suppressed fluctuations as the origin of the static magnetic order in strained SrRuO
Bongjae Kim, Sergii Khmelevskyi, Cesare Franchini +1
Combining first principle density functional calculations and Moriya's self-consistent renormalization theory, we explain the recently reported counterintuitive appearance of an or…
Interplay between multipolar spin interactions, Jahn-Teller effect and electronic correlation in a insulator
Dario Fiore Mosca, Leonid V. Pourovskii, Beom Hyun Kim +5
In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d spin-orb…
Hidden order and multipolar exchange striction in a correlated f-electron system
Leonid V. Pourovskii, Sergii Khmelevskyi
The nature of order in low-temperature phases of some materials is not directly seen by experiment. Such "hidden orders" (HO) may inspire decades of research to identify the mechan…
Osmates on the verge of a Hund's-Mott transition: The different fates of NaOsO and LiOsO
Daniel Springer, Bongjae Kim, Peitao Liu +6
We clarify the origin of the strikingly different spectroscopic properties of the chemically similar compounds NaOsO and LiOsO. Our first-principle many-body analysis demon…
Doping-induced insulator-metal transition in the Lifshitz magnetic insulator NaOsO3
Sabine Dobrovits, Bongjae Kim, Michele Reticcioli +3
By means of first principles schemes based on magnetically constrained density functional theory and on the band unfolding technique we study the effect of doping on the conducting…
Quadrupolar Superexchange Interactions, Multipolar Order and Magnetic Phase Transition in UO
Leonid V. Pourovskii, Sergii Khmelevskyi
The origin of non-collinear magnetic order in UO is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluatin…
Correlated excited states in the narrow gap band semiconductor FeSi and antiferromagnetic screening of local spin moments
Sergii Khmelevskyi, Georg Kresse, Peter Mohn
The physical properties of the semiconductor FeSi with very narrow band gap, anomalous behavior of the magnetic susceptibility and metal-insulator transition at elevated temperatur…
Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO
Bongjae Kim, Peitao Liu, Zeynep Ergönenc +3
In systems where electrons form both dispersive bands and small local spins, we show that changes of the spin configuration can tune the bands through a Lifshitz transition, result…
Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4
Peitao Liu, Sergii Khmelevskyi, Bongjae Kim +6
We put forward a scheme to study the anisotropic magnetic couplings in Sr2IrO4 by mapping fully relativistic constrained noncollinear density functional theory including an on-site…
Weak itinerant ferromagnetism in YCo9Si4
H. Michor, M. El-Hagary, S. Oezcan +7
Weak itinerant ferromagnetism in YCo9Si4 below about 25 K is studied by means of magnetisation, specific heat, and resistivity measurements. Single crystal X-ray Rietveld refinemen…