2021
DOI: 10.1103/physrevb.103.155118
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Electronic structure and topological phases of the magnetic layered materials MnBi2Te4, MnBi2Se4 , and

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Cited by 24 publications
(8 citation statements)
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“…QAH effect has been observed in its five septuple-layer film [9], which has a theoretical energy gap of 38 [32] or 33 meV [36], larger than the values listed in table 1. Topologically nontrivial phases have also been predicted in MnSb 2 Te 4 and MnBi 2 Se 4 [36,37]. However, firstprinciples calculations have suggested that they are not ideal QAH systems [36].…”
Section: Resultsmentioning
confidence: 69%
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“…QAH effect has been observed in its five septuple-layer film [9], which has a theoretical energy gap of 38 [32] or 33 meV [36], larger than the values listed in table 1. Topologically nontrivial phases have also been predicted in MnSb 2 Te 4 and MnBi 2 Se 4 [36,37]. However, firstprinciples calculations have suggested that they are not ideal QAH systems [36].…”
Section: Resultsmentioning
confidence: 69%
“…First, an intrinsic AFM TI MnBi 2 Te 4 has recently attracted much attention [9,[31][32][33][34][35]. QAH effect has been observed in its five septuple-layer film [9], which has a theoretical energy gap of 38 [32] or 33 meV [36], larger than the values listed in table 1. Topologically nontrivial phases have also been predicted in MnSb 2 Te 4 and MnBi 2 Se 4 [36,37].…”
Section: Resultsmentioning
confidence: 99%
“…The latter may suffer from interfacial band bending. [27,28] Therefore, the acquired systems are usually not satisfactory.…”
Section: Introductionmentioning
confidence: 99%
“…Based on this mechanism, a giant |N| was predicted in the monolayer model of a ferromagnetic semiconductor. 9) Recently, it has been predicted that van der Waals MnBi 2 Te 4 having an odd (⩾3) number of septuple layers (SLs) is a ferrimagnetic semiconductor with a large S 0 and nonzero σ xy , [10][11][12] and quantized σ xy has been experimentally observed at 5SLs. 13) Thus, a large |N| originating from |θ H S 0 | can be obtained.…”
mentioning
confidence: 99%
“…Considering the localization of 3d orbitals in Mn, the Hubbard U method was applied, and we used U = 4.0 eV based on a previous study. 12) Normconserving pseudopotentials and wave functions expanded by the linear combination of the pseudoatomic orbitals were used. Spin-orbit coupling was considered through the fully relativistic total-angular-momentum-dependent pseudopotentials.…”
mentioning
confidence: 99%