Strain dependent tuning electronic properties of noble metal di chalcogenides PdX2 (X = S, Se) mono-layer

被引：36
作者：
Ahmad, Sohail [1 ]
机构：
[1] King Khalid Univ, Coll Sci, Dept Phys, POB 9004, Abha, Saudi Arabia
来源：
MATERIALS CHEMISTRY AND PHYSICS | 2017年 / 198卷
关键词：
Strain; Electronic properties; Vibrational spectrum; Mono-layer; PdS2; PdSe2; 2-DIMENSIONAL MATERIALS; BLACK PHOSPHORUS; GRAPHENE; DICHALCOGENIDES; CRYSTAL; PDS2; OPTOELECTRONICS; SEMICONDUCTOR; TELLURIDES; NANOSHEETS;
D O I：
10.1016/j.matchemphys.2017.05.060
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Electronic properties of noble metal dichalcogenides PdX2 (X = S, Se) mono-layers have been studied using plane wave pseudopotential method based on density functional theory. The observed band gap is 1.28 eV (0.84 eV) in case of PdS2 (PdSe2) mono-layer which is 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 and compression strain. Phonon spectrum of these mono-layers and its strained structure reflect its dynamical stability. (C) 2017 Elsevier B.V. All rights reserved.
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页码：162 / 166
页数：5
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