Heterovalent andA-atom effects inA(B′B″)O3perovskite alloys
نویسندگان
چکیده
منابع مشابه
Heterovalent and A-atom effects in A„B8B9...O3 perovskite alloys
Using first-principles supercell calculations, we have investigated energetic, structural, and dielectric properties of three different A(B8B9)O3 perovskite alloys: Ba~Zn1/3Nb2/3)O3 ~BZN!, Pb~Zn1/3Nb2/3)O3 ~PZN!, and Pb~Zr1/3Ti2/3)O3 ~PZT!. In the homovalent alloy PZT, the energetics are found to be mainly driven by atomic relaxations. In the heterovalent alloys BZN and PZN, however, electrosta...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.59.1834