First-principles comparative study of the electronic and optical properties of tetragonal (P4mm) ATiO3 (A = Pb,Sn,Ge)

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First-principles comparative study of the electronic and optical properties of tetragonal (P4mm) ATiO3 (A = Pb,Sn,Ge)

The structural, electronic, and optical properties of the special lone pair ferroelectric materials with tetragonal structures, namely, PbTiO3, SnTiO3, and GeTiO3 (P4mm, 99 space group), were investigated using density functional theory implemented in a pseudo-potential plane wave using the CASTEP c...

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Bibliographic Details
Published in:	Integrated Ferroelectrics
Main Author:	2-s2.0-84901506925
Format:	Conference paper
Language:	English
Published:	Taylor and Francis Inc. 2014
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-84901506925&doi=10.1080%2f10584587.2014.905105&partnerID=40&md5=df401c229dd33501e3a9869c5ccb674f

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