2017
DOI: 10.1103/physrevb.96.054112
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Defects and oxidation resilience in InSe

Abstract: We use density functional theory to study intrinsic defects and oxygen related defects in indium selenide. We find that InSe is prone to oxidation, but however not reacting with oxygen as strongly as phosphorene. The dominant intrinsic defects in In-rich material are the In interstitial, a shallow donor, and the Se vacancy, which introduces deep traps. The latter can be passivated by oxygen, which is isoelectronic with Se. The dominant intrinsic defects in Se-rich material have comparatively higher formation e… Show more

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Cited by 62 publications
(93 citation statements)
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“…In the middle-field regime, the nonmonotonic behavior of σ xx is exhibited, which is in line with the result in Ref. [36]. In the lowfield regime, the power dependence of σ xx is shown and we fit the data as σ xx ∝ B −1.45 .…”
Section: B Magnetic Fieldsupporting
confidence: 89%
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“…In the middle-field regime, the nonmonotonic behavior of σ xx is exhibited, which is in line with the result in Ref. [36]. In the lowfield regime, the power dependence of σ xx is shown and we fit the data as σ xx ∝ B −1.45 .…”
Section: B Magnetic Fieldsupporting
confidence: 89%
“…First of all, we investigate the variation of the transverse magnetoconductivity σ xx with the Fermi energy ε, as the Fermi energy is usually away from zero due to the finite carrier density in real samples. For weakly tilted type-I WSMs, two regimes need to be distinguished [17,36]: the quantum limit regime and the quantum oscillation regime. The former refers to the regime of ε < ε 1v , with…”
Section: A Fermi Energymentioning
confidence: 99%
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“…These experiments have identified two main photoluminescence lines, interpreted 30 as a lower energy transition between bands dominated by s and p z orbitals (A-line) and hot luminescence, involving holes in a deeper valence band based on p x and p y orbitals (B-line). The band structure analysis of mono-and few-layer InSe [32][33][34][35][36][37][38][39][40][41][42][43][44][45][46][47][48] has revealed that the conduction and valence band edges near the Γ-point are non-degenerate, being dominated by s and p z orbitals of both metal and chalcogen atoms. Combined with the opposite z → −z (mirror reflection) symmetry of conduction and valence bands, this determines that the transition across the principal band gap has a dominantly electric dipole-like character, coupled to out-of-plane polarized photons.…”
Section: Introductionmentioning
confidence: 99%