Electronic structure of a LiB3O5 nonlinear optical crystal / Kuznetsov AY,Sobolev AB,Ogorodnikov IN,Kruzhalov AV // RADIATION EFFECTS AND DEFECTS IN SOLIDS. - 1995. - V. 134, l. 1-4. - P. 69-73.

ISSN/EISSN:

1042-0150 / нет данных

Type:

Article; Proceedings Paper

Abstract:

The electronic bands of a LiB3O5 (LBO) crystal with excellent nonlinear optical properties have been studied using the scattered-wave method in embedded-cluster model. Calculations were carried out for a {[}B3O7](5-) cluster, as this anionic group is the crystal basic structural unit. The interpretation of experimental photoemission spectra is based on electronic structure cluster calculations. From calculation performed, it follows that the contribution of trigonal and tetrahedral boron-oxygen groups dominates in the electronic structure of LBO, the contribution of 2p-boron stares is immaterial.

Author keywords:

lithium triborate; LiB3O5; electronic structure; cluster calculation

DOI:

10.1080/10420159508227185

Web of Science ID:

ISI:A1995UD41300012

Соавторы в МНС:

Другие поля

Поле	Значение
Note	7th Europhysical Conference on Defects in Insulating Materials (Eurodim 94), ECOLE NORMALE SUPIRIEURE LYON, LYON, FRANCE, JUL 05-08, 1994
Organization	Univ Claude Bernard Lyon I, Lab Phys Chim Mat Luminescents; Univ Claude Bernard Lyon I, Dept Phys Mat
Publisher	GORDON BREACH SCI PUBL LTD
Address	C/O STBS LTD PO BOX 90, READING, BERKS, ENGLAND RG1 8JL
Language	English
Research-Areas	Nuclear Science \& Technology; Physics
Web-of-Science-Categories	Nuclear Science \& Technology; Physics, Fluids \& Plasmas; Physics, Condensed Matter
ResearcherID-Numbers	Ogorodnikov, Igor/B-4162-2011
ORCID-Numbers	Ogorodnikov, Igor/0000-0002-4700-2340
Number-of-Cited-References	9
Usage-Count-Since-2013	1
Journal-ISO	Radiat. Eff. Defects Solids
Doc-Delivery-Number	UD413