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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F09%3A00010055" target="_blank" >RIV/60076658:12640/09:00010055 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67179843:_____/09:00342942

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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). The VBM originate

Název v anglickém jazyce

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

Popis výsledku anglicky

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). The VBM originate

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2009

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Alloys and Compounds

ISSN

0925-8388

e-ISSN

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Svazek periodika

472

Číslo periodika v rámci svazku

1-2

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

5

Strana od-do

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Kód UT WoS článku

000264757200013

EID výsledku v databázi Scopus

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