Exchange interactions in d5 Kitaev materials: From Na2IrO3 to
α−RuCl3

J 2022

Exchange interactions in d5 Kitaev materials: From Na2IrO3 to α−RuCl3

LIU, Huimei; Jiří CHALOUPKA a Giniyat KHALIULLIN

Základní údaje

Originální název

Exchange interactions in d5 Kitaev materials: From Na2IrO3 to α−RuCl3

Autoři

LIU, Huimei; Jiří CHALOUPKA a Giniyat KHALIULLIN

Vydání

Physical Review B, American Physical Society, 2022, 2469-9950

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.700

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/22:00129107

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Exact diagonalization; Kitaev model; Honeycomb lattice; Strongly correlated systems; Magnetic interactions; Magnetism; Magnons; Spin liquid

Štítky

14312020, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 5. 12. 2022 11:29, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

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.

Návaznosti

GA19-16937S, projekt VaV

Název: Frustrované a nefrustrované spinové systémy s měkkými spiny v relativistických Mottových izolantech

Investor: Grantová agentura ČR, Frustrované a nefrustrované spinové systémy s měkkými spiny v relativistických Mottových izolantech

Citovat

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://doi.org/10.1103/PhysRevB.105.214411.

@article{1874297,
   author = {Liu, Huimei and Chaloupka, Jiří and Khaliullin, Giniyat},
   article_number = {21},
   doi = {https://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://doi.org/10.1103/PhysRevB.105.214411.

Přehled o publikaci