Electronic Structure of Noncentrosymmetric α-GeO2 with Oxygen Vacancy: Ab Initio Calculations and Comparison with Experiment | Sciact - CRIS-system of Boreskov Institute of Catalysis

Electronic Structure of Noncentrosymmetric α-GeO2 with Oxygen Vacancy: Ab Initio Calculations and Comparison with Experiment Full article

Journal

The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455

Output data

Year: 2014, Volume: 118, Number: 7, Pages: 3644-3650 Pages count : 7 DOI: 10.1021/jp411751c

Tags

OPTICAL-PROPERTIES; CRYSTAL-STRUCTURES; GERMANIUM OXIDE; CORE LEVELS; QUARTZ; GeO2; SPECTROSCOPY; OXIDATION; PHASES; GROWTH

Authors

Atuchin V.V. ^1,2 , Kaichev V.V. ^3,4 , Korolkov I.V. ⁵ , Saraev A.A. ³ , Troitskaia I.B. ¹ , Perevalov T.V. ⁶ , Gritsenko V.A. ⁶

Affiliations

1	Laboratory of Optical Materials and Structures, Rzhanov Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russia
2	Tomsk State University, Tomsk 634050, Russia
3	Boreskov Institute of Catalysis, SB RAS, 630090 Novosibirsk, Russia
4	Physical Department, Novosibirsk State University, 630090 Novosibirsk, Russia
5	Laboratory of Crystal Chemistry, Nikolaev Institute of Inorganic Chemistry, SB RAS, 630090 Novosibirsk, Russia
6	Laboratory of Silicon Material Science, Rzhanov Institute of Semiconductor Physics, SB RAS, 630090 Novosibirsk, Russia

Funding (1)

Президиум РАН

24.18

Polycrystalline α-GeO2, space group P3221, has been prepared by low-temperature chemical synthesis. α-GeO2 electronic structure has been evaluated comparatively by X-ray photoelectron spectroscopy (XPS) and ab initio calculations. The oxygen vacancies have been formed in α-GeO2 by Ar+ ion bombardment at ion energy 2.4 keV. The appearance of oxygen-vacancy-induced new states in the band gap has been detected by XPS and theoretical analysis. It has been shown that oxygen monovacancy generation provides defect states in the valence band, in the band gap, and in the conduction band.

Atuchin V.V. , Kaichev V.V. , Korolkov I.V. , Saraev A.A. , Troitskaia I.B. , Perevalov T.V. , Gritsenko V.A.
Electronic Structure of Noncentrosymmetric α-GeO2 with Oxygen Vacancy: Ab Initio Calculations and Comparison with Experiment
The Journal of Physical Chemistry C. 2014. V.118. N7. P.3644-3650. DOI: 10.1021/jp411751c WOS Scopus РИНЦ ANCAN OpenAlex

Submitted:	Nov 30, 2013
Accepted:	Jan 16, 2014
Published online:	Feb 6, 2014
Published print:	Feb 20, 2014

Web of science:	WOS:000331861700031
Scopus:	2-s2.0-84894594523
Elibrary:	21866526
Chemical Abstracts:	2014:146736
Chemical Abstracts (print):	160:287459
OpenAlex:	W2328928377

DB	Citing
Web of science	18
Scopus	23
Elibrary	22
OpenAlex	23