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Journal of Alloys and Compounds

Volumn 629, Issue , 2015, Pages 43-48

Increasing the band gap of FeS2by alloying with Zn and applying biaxial strain: A first-principles study

(5) Xiao, Pin a,b Fan, Xiao Li a,b Zhang, Han a Fang, Xiaoliang a Liu, Li Min b,c

a NORTHWESTERN POLYTECHNICAL UNIVERSITY (China)

b BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER (China)

c Chengdu Green Energy and Green Manufacturing Technology R and D Center (China)

Author keywords

Biaxial strain; Electronic structure; First principles; Optical properties; Zn doped FeS2

Indexed keywords

ALLOYING; CALCULATIONS; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES; ZINC;

BIAXIAL STRAINS; COMPRESSIVE STRAIN; ELECTRONIC AND OPTICAL PROPERTIES; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; PHOTOVOLTAIC APPLICATIONS; ZN-DOPED;

TENSILE STRAIN;

EID: 84921362835 PISSN: 09258388 EISSN: None Source Type: Journal
DOI: 10.1016/j.jallcom.2014.11.217 Document Type: Article

Times cited : (28)

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