First-principles study of ( Ba , Ca ) TiO 3 and Ba ( Ti , Zr ) O 3 solid solutions

作者: Danila Amoroso , Andrés Cano , Philippe Ghosez

DOI: 10.1103/PHYSREVB.97.174108

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摘要: (Ba, Ca) TiO 3 and Ba (Ti, Zr) O 3 solid solutions are the building blocks of lead-free piezoelectric materials that attract a renewed interest. We investigate the properties of these systems …

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