DocumentCode
2703116
Title
Investigation of the PbMoO4 electronic structure formation using the software package “SCPPBAND”
Author
Qasimov, Baba M.
Author_Institution
Qafqaz Univ., Baku, Azerbaijan
fYear
2010
fDate
12-14 Oct. 2010
Firstpage
1
Lastpage
3
Abstract
The self consistent band structure of the PbMoO4 crystal, having sheelite-type complicated multi-atomic cell was calculated using the “ab initio” pseudopotential approach. Besides that the energetic structure of the MoO42-cluster was calculated using the self-consistent scattered wave method. The results of these calculations were used to investigate the role of the claster in formation of the electronic bands of the PbMoO4 crystal.
Keywords
atomic structure; band structure; lead compounds; molybdenum compounds; software packages; PbMoO4; SCPPBAND; ab initio pseudopotential approach; electronic bands; electronic structure formation; energetic structure; self consistent band structure; self-consistent scattered wave method; sheelite-type complicated multiatomic cell; software package; Chemicals; Communications technology; Conferences; Crystals; Lead; Microscopy; Software packages;
fLanguage
English
Publisher
ieee
Conference_Titel
Application of Information and Communication Technologies (AICT), 2010 4th International Conference on
Conference_Location
Tashkent
Print_ISBN
978-1-4244-6903-1
Electronic_ISBN
978-1-4244-6904-8
Type
conf
DOI
10.1109/ICAICT.2010.5612009
Filename
5612009
Link To Document