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DC Field | Value | Language |
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dc.citation.startPage | 165117 | - |
dc.citation.title | PHYSICAL REVIEW B | - |
dc.citation.volume | 87 | - |
dc.contributor.author | Kim, Heung-Sik | - |
dc.contributor.author | Kim, Choong H | - |
dc.contributor.author | Jeong, Hogyun | - |
dc.contributor.author | Jin, Hosub | - |
dc.contributor.author | Yu, Jaejun | - |
dc.date.accessioned | 2023-12-22T04:07:53Z | - |
dc.date.available | 2023-12-22T04:07:53Z | - |
dc.date.created | 2015-07-29 | - |
dc.date.issued | 2013-04 | - |
dc.description.abstract | We present an effective tight-binding Hamiltonian for Li2IrO3 based on maximally localized Wannier functions for states near the Fermi level as obtained from first-principles electronic structure calculations. The majority of the Wannier orbitals are positioned on the center site with dominant j(eff) = 1/2 character, while relatively small j(eff) = 3/2 tails lie on the three nearest-neighbor sites. Interestingly, the spin quantization axis of the j(eff) = 1/2 components deviates from the local octahedral axis and points toward the nearest-neighbor Ir direction. In our tight-binding model, there are relatively strong next-nearest- and the third-nearest-neighbor hopping terms within the two-dimensional Ir honeycomb lattice in addition to the relatively small but significant interlayer hopping terms. The ratio between the nearest-neighbor and the third-nearest-neighbor hoppings, which can be controlled by the lattice strain, plays a critical role in determinating the Z(2)-invariant character of Li2IrO3. From our tight-binding model, we also derive an effective Hamiltonian and its parameters for the magnetic exchange interactions. Due to the complex spin-dependent next-nearest-neighbor hopping terms, our pseudospin Hamiltonian includes significant next-nearest-neighbor antiferromagnetic Kitaev terms as well as Dzyaloshinskii-Moriya and Heisenberg interactions. From our model Hamiltonian we estimate classical energies of collinear magnetic configurations as functions of the Hund's coupling of the Ir atom, from which zigzag-type magnetic order gives the lowest energy. DOI: 10.1103/PhysRevB.87.165117 | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW B, v.87, pp.165117 | - |
dc.identifier.doi | 10.1103/PhysRevB.87.165117 | - |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.scopusid | 2-s2.0-84876248927 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/16820 | - |
dc.identifier.url | http://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.165117 | - |
dc.identifier.wosid | 000317394100003 | - |
dc.language | 영어 | - |
dc.publisher | American Physical Society | - |
dc.title | Strain-induced topological insulator phase and effective magnetic interactions in Li2IrO3 | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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