Tight-binding initialization for generating high-quality initial wave functions: application to defects and impurities in GaN

Materials Research Society Symposium - Proceedings

Volumn 408, Issue , 1996, Pages 43-48

  Neugebauer, Jorg ^a   Van De Walle, Chris G ^a  

^a PALO ALTO RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTAL DEFECTS; CRYSTAL IMPURITIES; FUNCTIONS; GALLIUM COMPOUNDS; ITERATIVE METHODS; MATRIX ALGEBRA; VECTORS;

FIRST PRINCIPLES METHODS; GALLIUM NITRIDE; HAMILTONIAN; TIGHT BINDING INITIALIZATION; TOTAL ENERGY CONVERGENCE; WAVEFUNCTIONS;

MOLECULAR DYNAMICS;

EID: 0030314458     PISSN: 02729172     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (9)