Gallium Thiophosphate: An Emerging Bidirectional Auxetic Two-Dimensional Crystal with Wide Direct Band Gap.
J Phys Chem Lett
; 10(15): 4455-4462, 2019 Aug 01.
Article
em En
| MEDLINE
| ID: mdl-31318214
ABSTRACT
Two-dimensional (2D) materials with negative Poisson's ratio (NPR) attract considerable attention because of their exotic mechanical properties. We propose a new 2D material, monolayer GaPS4, which shows NPR for both in-plane (-0.033) and out-of-plane (-0.62) directions. Such coexistence of NPR in two distinct directions could be explained by its corner- and edge-shared tetrahedra pucker structure. GaPS4 has an ultralow cleavage energy of 0.23 J m-2 according to our calculation, such that exfoliation of the bulk material is feasible for the preparation of mono- and few-layer GaPS4. Direct wide band gap of 3.55 eV and moderate electron mobility have been revealed in monolayer GaPS4, while the direct gap feature is robust within a strain range of -6% to 6%. These findings render 2D GaPS4 a promising candidate for applications in nanoelectronics and low-dimensional electromechanical devices.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Phys Chem Lett
Ano de publicação:
2019
Tipo de documento:
Article
País de afiliação:
China