Mexican-hat dispersions and high carrier mobility of γ-SnX (X = O, S, Se, Te) single-layers: a first-principles investigation

Abstract

The shape of energy dispersions near the band-edges plays a decisive role in the transport properties, especially the carrier mobility, of semiconductors. In this work, we design and investigate the...

Strong out-of-plane piezoelectricity and Rashba-type spin splitting in asymmetric structures: first-principles study for Janus γ-Sn2OX (X = S, Se, Te) monolayers

“…For comparison, it can be found that the bandgap of γ-Sn 2 OX is much wider than those of both γ-SnX and γ-SnO monolayers. 16,43…”

“…The lattice constant of g-Sn 2 OX is smaller than that of pristine g-Sn X 14,16 but longer than that of g-SnO. 43 For example, the lattice constant of g-Sn 2 OSe is found to be 3.75 Å, which is comparable with 4.09 Å of g-SnSe. 14 The lattice constants of g-Sn 2 OX are comparable with that of the synthesized g-GeSe (3.73 AE 0.01 Å).…”

“…For comparison, it can be found that the bandgap of g-Sn 2 OX is much wider than those of both g-SnX and g-SnO monolayers. 16,43 For compounds containing heavy constituents, the SOC effect is important in understanding the electronic features of semiconductors. 44 Also, the high out-of-plane asymmetry of the Janus structures can lead to an intrinsic Rashba-type spin splitting in their electronic bands.…”

Electronic, optical, and transport properties of single-layer ZrTeS4: a DFT study

“…[1][2][3][4][5][6][7] Transition metal dichalcogenides (TMDs) are among the most promising single-layer materials. 8,9 The combination of transition metals and a wide range of chalcogenides enriches the advantages of these materials' properties, making them promising for many optoelectronic applications. [10][11][12][13][14][15] The TMDs with asymmetric electronic properties are called 2D Janus materials, 16,17 and this anisotropy results in many effects including Rashba spin splitting, second harmonic generation, and polarization of piezoelectricity.…”

Novel two-dimensional Janus β-Ge2XY (X/Y = S, Se, Te) structures: first-principles examinations

“…9 It has been indicated that, with different symmetry structures, the physical properties of phases of group IV monochalcogenides are significantly different. 8,10,11 Particularly, β-GeSe exhibits extremely high electron mobility, up to 2.93 × 10 4 cm 2 V −1 s −1 , 8 which is suitable for nanoelectronic applications.…”