Unfolding first-principles band structures

Physical Review Letters

Volumn 104, Issue 21, 2010, Pages

  Ku, Wei ^a,b   Berlijn, Tom ^a,b   Lee, Chi Cheng ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANGLE RESOLVED PHOTOEMISSION SPECTROSCOPY; COMPUTATIONAL EXPENSE; FIRST-PRINCIPLES; GENERAL METHOD; KOHN-SHAM ORBITALS; LATTICE DISTORTIONS; LONG RANGE ORDERS; SIMPLE METHOD; SPECTRAL WEIGHT; STRUCTURE FACTORS; SUPERCELL CALCULATIONS; TRANSLATIONAL SYMMETRY; WANNIER FUNCTIONS;

ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; IMPURITIES; VISUALIZATION;

BAND STRUCTURE;

EID: 77953093846     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.104.216401     Document Type: Article

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