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...

وصف كامل

التفاصيل البيبلوغرافية
الحاوية / القاعدة:	Integrated Ferroelectrics
المؤلف الرئيسي:	2-s2.0-84901506925
التنسيق:	Conference paper
اللغة:	English
منشور في:	Taylor and Francis Inc. 2014
الوصول للمادة أونلاين:	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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