Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer

Abstract

Although O is an element of chalcogen group, the study of two-dimensional (2D) O-based Janus dichalcogenides/monochalcogenides, especially their 1T-phase, has not been given sufficient attention.

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

“…This is consistent with the in-plane isotropy of the atomic structure of 2D γ-SnX single-layers, which are similar in other 2D layered nanostructures. 57–59 It is found that the Y 2D of γ-SnX is small, from 48.73–50.07 N m −1 , which is comparable with previous data. 34 This suggests that γ-SnX single-layers are mechanically flexible and they can withstand large mechanical deformations.…”

Rashba-type spin splitting and transport properties of novel Janus XWGeN2 (X = O, S, Se, Te) monolayers

“…A similar angle-dependence of Y 2D (a) and n(a) is found in other isotropic 2D materials. 14,[49][50][51] Our calculated results indicate that Y 2D of XWGeN 2 is in the range from 266.49 N m À1 (TeWGeN 2 ) to 323.18 N m À1 (OWGeN 2 ), which is comparable with graphene (340 N m À1 ). 52 4 Electronic properties and the Rashba spin splitting effect…”

A large-gap quantum spin Hall state in exfoliated Na3Bi-like two-dimensional materials

“…We found that the calculated Young's modulus and Poisson's ratio demonstrate strong isotropic features with respect to different in-plane directions, analogous graphene 55 and GaS 2 . 56 Furthermore, we explored the mechanism of stabilization. For a more comprehensive study, we also discussed other Na 3 Bi-like monolayer structures (e.g., K 3 Bi, Rb 3 Bi, Rb 2 KBi, etc.).…”

“…We found that the calculated Young's modulus and Poisson's ratio demonstrate strong isotropic features with respect to different in-plane directions, analogous graphene 55 and GaS 2 . 56…”