Optical and electronic properties of orthorhombic and trigonal AXO3 (A=Cd, Zn; X=Sn, Ge): first principle calculation
Taylor and Francis Inc.
73 - 79
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Electronic structure and optical properties of the CdXO3 and ZnXO3 (X˭Ge, Sn) compounds have been investigated based on density functional theory. According to the predictive results, reveal that the CdXO3 and ZnXO3 would be candidates for a high performance lead free optical crystal, which will avoid the environmental toxicity problem of the lead-based materials.
KeywordsAb initio calculation
Density functional theory
Electronic structure and optical properties
First principle calculations
Optical and electronic properties
Published Version (Please cite this version)http://dx.doi.org/10.1080/00150193.2016.1168207
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