|
ИСТИНА |
Войти в систему Регистрация |
ИСТИНА ИНХС РАН |
||
Electronic structure of ZrX2 (X = Se, Te)статья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 6 декабря 2018 г.
- Авторы: Shkvarin A.S., Merentsov A.I., Shkvarina E.G., Yarmoshenko Yu M., Píš I., Nappini S., Titov A.N.
- Журнал: Journal of Chemical Physics
- Том: 148
- Номер: 12
- Год издания: 2018
- Издательство: AIP Publishing
- Местоположение издательства: United States
- Первая страница: 124707
- DOI: 10.1063/1.5019316
- Аннотация: The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.
- Добавил в систему: Титов Александр Натанович