Open AccessThe ab-initio calculation of crystal structure and lattice dynamics of perfect and defective MeX (Me+= Rb+, K+, Na+; X-= F-, Cl-)
Author(s) -
A. V. Larin,
A. N. Kislov,
А. Е. Никифоров,
S. É. Popov
Publication year - 2007
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/92/1/012145
Subject(s) - alkali metal , atomic physics , lattice (music) , ab initio quantum chemistry methods , crystal structure , halide , hartree–fock method , crystal (programming language) , ion , ab initio , physics , chemistry , crystallography , molecule , quantum mechanics , inorganic chemistry , computer science , acoustics , programming language