Phase diagrams of BaTiO3/SrTiO3 superlattices from first principles

被引：64
作者：
Lisenkov, Sergey [1 ]
Bellaiche, L. [1 ]
机构：
[1] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA
来源：
PHYSICAL REVIEW B | 2007年 / 76卷 / 02期
关键词：
D O I：
10.1103/PhysRevB.76.020102
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A first-principles-based technique is used to determine the temperature versus misfit strain phase diagram of epitaxially grown (001) BaTiO3/SrTiO3 superlattices of different periods. Short superlattices exhibit a phase diagram that resemble that of (001) BaTiO3 thin films under short-circuit-like conditions. On the other hand, original domain patterns with unusual atomistic features occurred in the longer superlattices. The reason behind such a dramatic difference between short and longer superlattices is discussed.
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