| LIU, Huimei, Jiří CHALOUPKA a Giniyat KHALIULLIN. Exchange interactions in d5 Kitaev materials: From Na2IrO3 to α−RuCl3. Physical Review B. American Physical Society, 2022, roč. 105, č. 21, s. 1-12. ISSN 2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.105.214411. |
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@article{1874297,
author = {Liu, Huimei and Chaloupka, Jiří and Khaliullin, Giniyat},
article_number = {21},
doi = {http://dx.doi.org/10.1103/PhysRevB.105.214411},
keywords = {Exact diagonalization; Kitaev model; Honeycomb lattice; Strongly correlated systems; Magnetic interactions; Magnetism; Magnons; Spin liquid},
language = {eng},
issn = {2469-9950},
journal = {Physical Review B},
title = {Exchange interactions in d5 Kitaev materials: From Na2IrO3 to α−RuCl3},
url = {https://journals.aps.org/prb/abstract/10.1103/PhysRevB.105.214411},
volume = {105},
year = {2022}
}
TY - JOUR
ID - 1874297
AU - Liu, Huimei - Chaloupka, Jiří - Khaliullin, Giniyat
PY - 2022
TI - Exchange interactions in d5 Kitaev materials: From Na2IrO3 to α−RuCl3
JF - Physical Review B
VL - 105
IS - 21
SP - 1-12
EP - 1-12
PB - American Physical Society
SN - 24699950
KW - Exact diagonalization
KW - Kitaev model
KW - Honeycomb lattice
KW - Strongly correlated systems
KW - Magnetic interactions
KW - Magnetism
KW - Magnons
KW - Spin liquid
UR - https://journals.aps.org/prb/abstract/10.1103/PhysRevB.105.214411
N2 - We present an analytical study of the exchange interactions between pseudospin one-half d5 ions in honeycomb lattices with edge-shared octahedra. Various exchange channels involving Hubbard U, charge-transfer excitations, and cyclic exchange are considered. Hoppings within t2g orbitals as well as between t2g and eg orbitals are included. Special attention is paid to the trigonal crystal field Δ effects on the exchange parameters. The obtained exchange Hamiltonian is dominated by ferromagnetic Kitaev interaction K within a wide range of Δ. It is found that a parameter region close to the charge-transfer insulator regime and with a small Δ is most promising to realize the Kitaev spin liquid phase. Two representative honeycomb materials Na2IrO3 and α-RuCl3 are discussed based on our theory. We have found that both materials share dominant ferromagnetic K and positive nondiagonal Γ values. However, their Heisenberg J terms have opposite signs: AFM J>0 in Na2IrO3 and FM J<0 in α-RuCl3. This brings different magnetic fluctuations and results in their different magnetization behaviors and spin excitation spectra. Proximity to FM state due to the large FM J is emphasized in α-RuCl3. The differences between the exchange couplings of these two materials originate from the opposite Δ values, indicating that the crystal field can serve as an efficient control parameter to tune the magnetic properties of d5 spin-orbit Mott insulators.
ER -
LIU, Huimei, Jiří CHALOUPKA a Giniyat KHALIULLIN. Exchange interactions in d5 Kitaev materials: From Na2IrO3 to α−RuCl3. \textit{Physical Review B}. American Physical Society, 2022, roč.~105, č.~21, s.~1-12. ISSN~2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.105.214411.
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