Počet záznamů: 1
X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal
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SYSNO ASEP 0342939 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název X-ray photoelectron spectra and the electronic band structure for non-centrosymmetric Bi2ZnB2O7 nonlinear single crystal Tvůrce(i) Reshak, Ali H (UEK-B)
Chen, X. (CN)
Kityk, I. V. (PL)
Auluck, S. (IN)
Iliopoulos, K. (GR)
Couris, S. (GR)
Khenata, R. (DZ)Celkový počet autorů 7 Zdroj.dok. Current Opinion in Solid State & Materials Science. - : Elsevier - ISSN 1359-0286
Roč. 12, č. 2 (2009), s. 26-31Poč.str. 6 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova bismuth borate ; BIB3O6 ; generalized gradient approximation Vědní obor RIV BO - Biofyzika CEZ AV0Z60870520 - UEK-B (2005-2011) UT WOS 000265047800002 DOI 10.1016/j.cossms.2008.09.004 Anotace We have synthesized and characterized the bismuth borate Bi2ZnB2O7 single crystals. The results of the experimental measurements of the X-ray diffraction (XRD) and X-ray photoelectron spectrum (XPS) along with an ab initio theoretical study of the electronic band structure, and density of states, are reported. The theoretical calculations are based on crystal structure built from our experimentally determined atomic parameters. The theoretical calculations have been done by using the full potential linearized augmented plane wave (FP-LAPW) method. We applied the Perdew-Burke-Ernzerhof generalized gradient approximation (GGA) and the Engel-Vosko GGA formalism. The observed XPS pattern is in good agreement with the theoretical one, confirming the pure phase of Bi2ZnB2O7. The purity and composition of the as-prepared sample are studied by XPS analysis. XPS measurements show that the bismuth possesses +3 valence state, and Zn and B species exist only in the traditional valence states of Zn2+ and B3+. Pracoviště Ústav výzkumu globální změny Kontakt Nikola Šviková, svikova.n@czechglobe.cz, Tel.: 511 192 268 Rok sběru 2011
Počet záznamů: 1