Publication: Charge Properties of Thorium Implanted in Silicon Oxide
Дата
2020
Авторы
Kurelchuk, U. N.
Borisyuk, P. B.
Nikolaev, A. V.
Tkalya, E. V.
Journal Title
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Volume Title
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Аннотация
© 2020, Pleiades Publishing, Ltd.Abstract: A study of thorium atoms implanted in silicon oxide was carried out within the density functional theory method. The charge properties of Th in the ThO2:nSiO2 and Th:nSiO2 compounds, where Th acts as an interstitial and substitutional impurity in cristobalite, have been studied. Geometric optimization of structures is carried out with allowance for electron-electron interactions, self-consistent distribution of electron density is investigated, and Bader effective charges are estimated.
Описание
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Цитирование
Charge Properties of Thorium Implanted in Silicon Oxide / Kurelchuk, U.N. [et al.] // Physics of Atomic Nuclei. - 2020. - 83. - № 11. - P. 1569-1574. - 10.1134/S1063778820120042
URI
https://www.doi.org/10.1134/S1063778820120042
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https://openrepository.mephi.ru/handle/123456789/23156
https://www.scopus.com/record/display.uri?eid=2-s2.0-85102144903&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000624543600013
https://openrepository.mephi.ru/handle/123456789/23156