Maximally localized Wannier functions for entangled energy bands
نویسندگان
چکیده
منابع مشابه
Maximally localized Wannier functions for entangled energy bands
We present a method for obtaining well-localized Wannier-like functions ~WF’s! for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally localized WF’s method @N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12 847 ~1997!# that the bands of interest should form an isolated group, separated by gaps from higher and lower bands...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2001
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.65.035109