First-principles Calculations for Polarization and Wannier Function
نویسندگان
چکیده
منابع مشابه
First-principles calculations for insulators at constant polarization.
We develop an exact formalism for performing first-principles calculations for insulators at fixed electric polarization. As shown by Sai, Rabe, and Vanderbilt (SRV) [Phys. Rev. B 66, 104108 (2002)], who designed an approximate method to tackle the same problem, such an approach allows one to map out the energy landscape as a function of polarization, providing a powerful tool for the theoretic...
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ژورنال
عنوان ژورنال: Hyomen Kagaku
سال: 2008
ISSN: 0388-5321,1881-4743
DOI: 10.1380/jsssj.29.432