2020
DOI: 10.1016/j.physe.2020.114358
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Janus Ga2STe monolayer under strain and electric field: Theoretical prediction of electronic and optical properties

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Cited by 21 publications
(6 citation statements)
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“…All the atoms are connected by the covalent bond of S–Ga–Ga–Te along the z -direction. The calculated lattice constant ( a / b = 3.881 Å), bond lengths ( l S–Ga = 2.438 Å; l Ga–Ga = 2.455 Å; l Ga–Te = 2.628 Å), and effective thickness ( h = 4.789 Å) are in good agreement with previous theoretical reports 25,26,28 as listed in Table S1 of ESI †. The dynamical stability of the Ga 2 STe monolayer was also investigated by the phonon dispersion as exhibited in Fig.…”
Section: Resultssupporting
confidence: 86%
See 1 more Smart Citation
“…All the atoms are connected by the covalent bond of S–Ga–Ga–Te along the z -direction. The calculated lattice constant ( a / b = 3.881 Å), bond lengths ( l S–Ga = 2.438 Å; l Ga–Ga = 2.455 Å; l Ga–Te = 2.628 Å), and effective thickness ( h = 4.789 Å) are in good agreement with previous theoretical reports 25,26,28 as listed in Table S1 of ESI †. The dynamical stability of the Ga 2 STe monolayer was also investigated by the phonon dispersion as exhibited in Fig.…”
Section: Resultssupporting
confidence: 86%
“…19,20 In particular, MoSSe and WSSe Janus monolayers have been prepared successfully, 21,22 which further motivates theoretical research on M 2 XY (M = Ga, In; X, Y = S, Se, Te) Janus monolayers. 23–27 The M 2 XY Janus monolayers were previously reported to be semiconducting materials that possess wide bandgaps of 2.03 to 0.89 eV 24 and were thought to be useful for application in optoelectronics. Also, the M 2 STe and M 2 SeTe (M = Ga, In) Janus monolayers are proven to have a direct-gap nature.…”
Section: Introductionmentioning
confidence: 99%
“…The optimized lattice constant of Ga 2 STe is 3.89 Å, consistent with the previously reported value of 3.899 Å. 35 Au, Ag, Cu, and Al in (111) orientation were chosen because they have high stability and are commonly used. ML Ga 2 STe was stacked on top of the metal, with six layers of metal (111) atoms chosen as the bulk metal.…”
Section: Computational Methods and Modelssupporting
confidence: 67%
“…32 This makes Janus 2D materials potentially useful in nanosensors, optoelectronics, and photocatalysts. 33–37…”
Section: Introductionmentioning
confidence: 99%
“…Encouraged by experimental preparation of Janus MoSSe and WSSe monolayers, Janus group-III monochalcogenide M 2 XY (M = Ga, In; X/Y = S, Se, Te) monolayers have also been reported theoretically. 23–27 The M 2 XY monolayers are predicted to be semiconductors with an energy gap in the range of 0.89–2.03 eV. 23 In particular, Ga 2 STe, Ga 2 SeTe, In 2 STe, and In 2 SeTe monolayers are verified to have direct gaps.…”
Section: Introductionmentioning
confidence: 99%