Atomic-level simulation of ferroelectricity in oxide materials

被引：111
|
作者：
Sepliarsky, M.
Asthagiri, A.
Phillpot, S. R. [1 ]
Stachiotti, M. G.
Migoni, R. L.
机构：
[1] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA
[2] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA
[3] Univ Nacl Rosario, Inst Fis, Fac Ciencias Exactas Ingn & Agrimensura, RA-2000 Rosario, Argentina
来源：
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE | 2005年 / 9卷 / 03期
基金：
美国国家科学基金会;
关键词：
ferroelectricity; atomistic simulation; oxide;
D O I：
10.1016/j.cossms.2006.05.002
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Recent work on using atomic-level simulation methods to study the ferroelectric properties of oxide materials is reviewed. In particular, it is illustrated how such methods can provide insights into the physical properties of a wide range of ferroelectric oxide materials inaccessible by other means. Approaches for further improvements in materials fidelity and increased range of applicability are discussed. (c) 2006 Elsevier Ltd. All rights reserved.
引用
收藏
页码：107 / 113
页数：7
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