Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations)

Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations)

First principle calculations of the effect of hydrostatic pressure on the structural and electronic parameters of TGS crystals have been carried out within the framework of density functional theory using the CASTEP code. The volume dependence of total electronic energy E(V) of the crystal unit cell...

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Bibliographic Details
Main Authors: B.Andriyevsky, W.Ciepluch-Trojanek, A.Patryn
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2007-01-01
Series:Condensed Matter Physics
Subjects:
ferroelectrics
structure and electronic parameters
hydrostatic pressure
Online Access:http://dx.doi.org/10.5488/CMP.10.1.33

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