Optical and electronic properties of orthorhombic and trigonal AXO3 (A=Cd, Zn; X=Sn, Ge): first principle calculation
Date
2016
Editor(s)
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Instructor
Source Title
Ferroelectrics
Print ISSN
0015-0193
Electronic ISSN
1563-5112
Publisher
Taylor and Francis Inc.
Volume
498
Issue
1
Pages
73 - 79
Language
English
Type
Journal Title
Journal ISSN
Volume Title
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Abstract
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.
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Book Title
Keywords
Ab initio calculation , ABO3 , Electronic structure , Optical properties , Calculations , Density functional theory , Electronic properties , Germanium , Tin , Electronic structure and optical properties , Environmental toxicity , First principle calculations , Lead-based materials , Optical and electronic properties , Optical crystals