Title :
Software package for “ab initio” microscopic modeling of electronic subsystem of multiatomic crystals
Author :
Qasimov, Baba M.
Author_Institution :
Qafqaz Univ., Baku, Azerbaijan
Abstract :
The software package for numerical modeling of electronic subsystem of multiatomic crystals of various classes and calculation of crystal properties defined by the electronic subsystem is described. The results of the calculation for BaTiO3, PbMoO4, and GeTe are presented.
Keywords :
barium compounds; germanium alloys; lead compounds; physics computing; software packages; tellurium alloys; BaTiO3; GeTe; PbMoO4; ab initio microscopic modeling; electronic subsystem; multiatomic crystals; software package; Anisotropic magnetoresistance; Assembly; Crystals; Educational technology; Electron microscopy; Ferroelectric materials; Gaussian processes; Numerical models; Physics; Software packages;
Conference_Titel :
Application of Information and Communication Technologies, 2009. AICT 2009. International Conference on
Conference_Location :
Baku
Print_ISBN :
978-1-4244-4739-8
Electronic_ISBN :
978-1-4244-4740-4
DOI :
10.1109/ICAICT.2009.5372520