Electronic Structure of Noncentrosymmetric α-GeO2 with Oxygen Vacancy: Ab Initio Calculations and Comparison with Experiment Научная публикация
Журнал |
The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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Вых. Данные | Год: 2014, Том: 118, Номер: 7, Страницы: 3644-3650 Страниц : 7 DOI: 10.1021/jp411751c | ||||||||||||
Ключевые слова | OPTICAL-PROPERTIES; CRYSTAL-STRUCTURES; GERMANIUM OXIDE; CORE LEVELS; QUARTZ; GeO2; SPECTROSCOPY; OXIDATION; PHASES; GROWTH | ||||||||||||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | Президиум РАН | 24.18 |
Реферат:
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.
Библиографическая ссылка:
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
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
Даты:
Поступила в редакцию: | 30 нояб. 2013 г. |
Принята к публикации: | 16 янв. 2014 г. |
Опубликована online: | 6 февр. 2014 г. |
Опубликована в печати: | 20 февр. 2014 г. |
Идентификаторы БД:
Web of science | WOS:000331861700031 |
Scopus | 2-s2.0-84894594523 |
РИНЦ | 21866526 |
Chemical Abstracts | 2014:146736 |
Chemical Abstracts (print) | 160:287459 |
OpenAlex | W2328928377 |