Ab-Initio Study of Csgecl3 Compound in Paraelectric and Ferroelectric Phases
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Date
2016
Journal Title
Journal ISSN
Volume Title
Publisher
Taylor & Francis Ltd
Abstract
Structural optimization, electronic energy band structure, density of states, optical, lattice dynamic and thermodynamic properties of CsGeCl3 compound in paraelectric and ferroelectric phases were investigated using the DFT in the GGA and LDA approximations. The obtained results of CsGeCl3 crystal were compared with the available theoretical and experimental results and have been found to be in good agreement with these results.
Description
Aycibin, Murat/0000-0002-2634-3082
ORCID
Keywords
Density Functional Theory, Semiconductor, Optical Constants, Thermodynamical Quantities
Turkish CoHE Thesis Center URL
WoS Q
Q4
Scopus Q
Q4
Source
Volume
494
Issue
1
Start Page
138
End Page
149