Strained noble metal di chalcogenides PtX2 (X = S, Se) mono-layer: Ab initio study of electronic and lattice dynamic properties

被引：16

作者：

Ahmad, Sohail ^{[1
]}

机构：

[1] King Khalid Univ, Coll Sci, Dept Phys, POB 9004, Abha, Saudi Arabia

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2018年 / 95卷

关键词：

Strain; Electronic properties; Vibrational spectrum; Monolayer; PtS2; PtSe2; 2-DIMENSIONAL MATERIALS; DICHALCOGENIDES; GRAPHENE; CRYSTAL; TELLURIDES; NANOSHEETS; SELENIDES; SULFIDES; PTSE2;

D O I：

10.1016/j.physe.2017.09.016

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Electronic properties of noble metal dichalcogenides PtX2 (X = S, Se) mono-layers have been studied using plane wave pseudopotential method based on density functional theory. The band gap is observed to be as 1.94 eV (1.37 eV) in case of PtS2 (PtSe2) mono-layer which is found to be in close agreement with previous known results. A further variation in band gap is observed in both the two mono-layers on applying biaxial tensile as well as compressional strain. Phonon spectrum of these mono-layers and its strained structure reflects its dynamical stability.

引用

页码：139 / 143

页数：5

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