Open AccessAb-initiostudy on the absorption spectrum of color change sapphire based on first-principles calculations with considering lattice relaxation-effect
Author(s) -
Mega Novita,
Hikari Nagoshi,
Akiho Sudo,
Kazuyoshi Ogasawara
Publication year - 2018
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/299/1/012060
Subject(s) - castep , ab initio , relaxation (psychology) , lattice (music) , ab initio quantum chemistry methods , chemistry , lattice energy , absorption spectroscopy , molecular physics , atomic physics , crystal structure , electronic structure , computational chemistry , physics , optics , crystallography , molecule , psychology , social psychology , acoustics , organic chemistry