Density Functional Calculation of the Electronic Structures of Some A5b6c7-Type Crystals
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Date
2009
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Journal ISSN
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Publisher
World Scientific Publ Co Pte Ltd
Abstract
The electronic band structures of some A(5)B(6)C(7)-type ternary compounds, BiSeI, BiSI, BiSCl, BiSBr, BiSeBr and SbSeBr, are investigated using the density functional theory and pseudopotential theory under the generalized gradient approximation (GGA). The electronic band structures obtained show that these crystals, except for BiSeI, have an indirect band gap.
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Keywords
A(5)B(6)C(7)-Type Semiconductor, Ferroelectrics, Electronic Band Structure
Turkish CoHE Thesis Center URL
WoS Q
Q2
Scopus Q
Q2
Source
Volume
23
Issue
1
Start Page
97
End Page
104