First-principles study of SrTe and BaTe: Promising wide-band-gap semiconductors with ambipolar doping

Kim, Jinseok; Choi, Jong-Deok; Kang, Youngho

doi:10.1016/j.cap.2023.02.002

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2024

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Cited by 3 publications

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“…In addition, wide-band-gap semiconductors have garnered considerable attention owing to their diverse applications such as thin-film transistors, transparent contacts, and high-power devices. 48,49 Compound 1 has a wide band gap and is expected to have interesting properties for further discovery.…”

Section: Resultsmentioning

confidence: 99%

(C₆H₁₅N₃)_1.3(NH₄)_1.5H_1.5In₃SnS₈: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

Yang,

Wen,

Yang

et al. 2024

Dalton Trans.

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Section: Resultsmentioning

confidence: 99%

(C₆H₁₅N₃)_1.3(NH₄)_1.5H_1.5In₃SnS₈: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

Yang,

Wen,

Yang

et al. 2024

Dalton Trans.

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On two-dimensional metal borides (MBenes) as anode materials for metal-ion batteries: A first-principles study

Wang,

Song

et al. 2024

Computational Materials Science

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Valley-Dependent Electronic Properties of Metal Monochalcogenides GaX and Janus Ga2XY (X, Y = S, Se, and Te)

Kim,

Sung

et al. 2024

Nanomaterials

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Two-dimensional (2D) materials have shown outstanding potential for new devices based on their interesting electrical properties beyond conventional 3D materials. In recent years, new concepts such as the valley degree of freedom have been studied to develop valleytronics in hexagonal lattice 2D materials. We investigated the valley degree of freedom of GaX and Janus GaXY (X, Y = S, Se, Te). By considering the spin–orbit coupling (SOC) effect in the band structure calculations, we identified the Rashba-type spin splitting in band structures of Janus Ga2SSe and Ga2STe. Further, we confirmed that the Zeeman-type spin splitting at the K and K’ valleys of GaX and Janus Ga2XY show opposite spin contributions. We also calculated the Berry curvatures of GaX and Janus GaXY. In this study, we find that GaX and Janus Ga2XY have a similar magnitude of Berry curvatures, while having opposite signs at the K and K’ points. In particular, GaTe and Ga2SeTe have relatively larger Berry curvatures of about 3.98 Å2 and 3.41 Å2, respectively, than other GaX and Janus Ga2XY.

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First-principles study of SrTe and BaTe: Promising wide-band-gap semiconductors with ambipolar doping

Cited by 3 publications

References 37 publications

(C₆H₁₅N₃)_1.3(NH₄)_1.5H_1.5In₃SnS₈: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

(C₆H₁₅N₃)_1.3(NH₄)_1.5H_1.5In₃SnS₈: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

On two-dimensional metal borides (MBenes) as anode materials for metal-ion batteries: A first-principles study

Valley-Dependent Electronic Properties of Metal Monochalcogenides GaX and Janus Ga2XY (X, Y = S, Se, and Te)

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First-principles study of SrTe and BaTe: Promising wide-band-gap semiconductors with ambipolar doping

Cited by 3 publications

References 37 publications

(C6H15N3)1.3(NH4)1.5H1.5In3SnS8: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

(C6H15N3)1.3(NH4)1.5H1.5In3SnS8: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

On two-dimensional metal borides (MBenes) as anode materials for metal-ion batteries: A first-principles study

Valley-Dependent Electronic Properties of Metal Monochalcogenides GaX and Janus Ga2XY (X, Y = S, Se, and Te)

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Product

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(C₆H₁₅N₃)_1.3(NH₄)_1.5H_1.5In₃SnS₈: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties

(C₆H₁₅N₃)_1.3(NH₄)_1.5H_1.5In₃SnS₈: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties