Electronic structure of lithium tetraborate Li2B4O7 crystals. Cluster calculations and x-ray photoelectron spectroscopy / Kuznetsov AY,Kruzhalov AV,Ogorodnikov IN,Sobolev AB,Isaenko LI // PHYSICS OF THE SOLID STATE. - 1999. - V. 41, l. 1. - P. 48-50.

ISSN/EISSN:

1063-7834 / нет данных

Type:

Article

Abstract:

The results of an investigation of the electronic structure of lithium tetraborate crystals using experimental (x-ray photoelectron spectroscopy! and theoretical (quantum-chemical modeling) methods are reported. The experimental spectrum of the valence-band states of the crystal lies 2-15 eV below the Fermi level and is due primarily to boron-oxygen groups (B4O9). The quantum-chemical calculations were performed self-consistently, using the standard variant of the scattered-wave method in the model of a cluster embedded in a lattice of point charges. The data obtained on the partial contribution of the model densities to the one-electron spectrum of the {[}B4O9](6) cluster make it possible to interpret the fine structure of the experimental spectrum of the valence-band states. (C) 1999 American Institute of Physics. {[}S1063-7834(99)01401-X].

Author keywords:

DENSITY

DOI:

10.1134/1.1130728

Web of Science ID:

ISI:000078572200014

Соавторы в МНС:

Другие поля

Поле	Значение
Month	JAN
Publisher	AMER INST PHYSICS
Address	CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999 USA
Language	English
Keywords-Plus	DENSITY
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Isaenko, Ludmila/A-5272-2014 Isaenko, Ludmila/H-7620-2013 Ogorodnikov, Igor/B-4162-2011
ORCID-Numbers	Ogorodnikov, Igor/0000-0002-4700-2340
Number-of-Cited-References	11
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	1
Journal-ISO	Phys. Solid State
Doc-Delivery-Number	166JJ