Počet záznamů: 1

X-ray photoelectron spectroscopy and full potential studies of the electronic density of state of ternary oxyborate Na3La9O3(BO3)(8)

SYSNO ASEP	0342942
Druh ASEP	J - Článek v odborném periodiku
Zařazení RIV	J - Článek v odborném periodiku
Poddruh J	Článek ve WOS
Název	X-ray photoelectron spectroscopy and full potential studies of the electronic density of state of ternary oxyborate Na3La9O3(BO3)(8)
Tvůrce(i)	Reshak, Ali H (UEK-B) Auluck, S. (IN) Kityk, I. V. (PL)
Celkový počet autorů	3
Zdroj.dok.	Journal of Alloys and Compounds. - : Elsevier - ISSN 0925-8388 Roč. 472, č. 1-2 (2009), s. 30-34
Poč.str.	5 s.
Jazyk dok.	eng - angličtina
Země vyd.	NL - Nizozemsko
Klíč. slova	Electronic structure ; FPLAPW ; DFT
Vědní obor RIV	BO - Biofyzika
CEZ	AV0Z60870520 - UEK-B (2005-2011)
UT WOS	000264757200013
DOI	10.1016/j.jallcom.2008.05.018
Anotace	Density of electron states (DOS) measured by X-ray photoelectron spectra (XPS) on single crystals of a ternary oxyborate Na3La9O3(BO3)(8) (NLBO) are reported for the first time. The Na3La9O3(BO3)(8) ternary oxyborate nonlinear single crystals were synthesized by spontaneous crystallization on a iridium cylinder put in melts consisting of binary oxides. The novelty of the present work is that it describes the complete experimental picture of the total density of states (TDOS) for the valence band obtained by means of Xray photoelectron spectroscopy. We compare the DOS obtained by XPS with band structure calculation. The latter was performed within the density functional theory, using a full-potential linear augmented plane wave (FP-LAPW) method. The valence band maximum (VBM) and the conduction band minimum (CBM) are located at Gamma point of the Brilluoin zone resulting in a direct energy band gap of about 4.44 eV comparing with our measured energy band gap (5.22 eV).
Pracoviště	Ústav výzkumu globální změny
Kontakt	Nikola Šviková, svikova.n@czechglobe.cz, Tel.: 511 192 268
Rok sběru	2011

Počet záznamů: 1