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Chemical Physics Letters

Volumn 586, Issue , 2013, Pages 44-50

Lattice dynamics and electronic structure of energetic solids LiN 3 and NaN3: A first principles study

(2) Ramesh Babu, K a Vaitheeswaran, G a

a UNIVERSITY OF HYDERABAD (India)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTAL LATTICES; DENSITY FUNCTIONAL THEORY; DISPERSIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; EQUILIBRIUM CONSTANTS; GROUND STATE; LATTICE THEORY; LATTICE VIBRATIONS; NITROGEN COMPOUNDS; PHONONS; SODIUM COMPOUNDS; VAN DER WAALS FORCES;

DENSITY FUNCTIONALS; DIRECT BAND GAP; ENERGETIC SOLIDS; FIRST-PRINCIPLES STUDY; PHONON DENSITY OF STATE; PHONON DISPERSIONS; TRAN-BLAHA; VAN DER WAALS INTERACTIONS;

CRYSTAL STRUCTURE;

EID: 84885603427 PISSN: 00092614 EISSN: None Source Type: Journal
DOI: 10.1016/j.cplett.2013.09.012 Document Type: Article

Times cited : (14)

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