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Searching for new ferroelectrics and multiferroics: A user’s point of view 被引量:6

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摘要 A perspective on computational studies of ferroelectrics and multiferroics is given that emphasises what has yet to be done,along with some subtleties in previously studied systems.Beginning with the extensive data-mining studies of Abrahams and more recently,Rabe,a survey is given of magnetostrictive effects in antiferromagnetic antiferroelectrics(after Toledano and Toledano),which has an nonmagnetic analogy in the antiferroelectric phase of tris-sarcosine calcium chloride and a reminder of the unusual spin–phonon coupling of Holden et al.in systems such as KCoF3 and EuTiO3.Attention is also paid to field-temperature phase diagrams,finite non-periodic boundary conditions,and processing-dependent structures.
作者 JF Scott
出处 《npj Computational Materials》 SCIE EI 2015年第1期47-55,共9页 计算材料学(英文)
作者简介 Correspondence:JF Scott,jfs4@st-andrews.ac.uk。
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