The Hematite (α- Fe2O3) (0001) Surface: Evidence for Domains of Distinct Chemistry Научная публикация
Журнал |
Physical Review Letters
ISSN: 0031-9007 , E-ISSN: 1079-7114 |
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Вых. Данные | Год: 1998, Том: 81, Номер: 5, Страницы: 1038-1041 Страниц : 4 DOI: 10.1103/PhysRevLett.81.1038 | ||
Ключевые слова | ELECTRONIC-STRUCTURE; BAND THEORY; Pt(111); FILMS | ||
Авторы |
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Организации |
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Реферат:
Using spin-density functional theory we investigated various possible structures of the hematite (0001) surface. Depending on the ambient oxygen partial pressure, two geometries are found to be particularly stable under thermal equilibrium: one being terminated by iron and the other by oxygen. Both exhibit huge surface relaxations ( −57% for the Fe and −79% for the O termination) with important consequences for the surface electronic and magnetic properties. With scanning tunneling microscopy we observe two different surface terminations coexisting on single crystalline α- Fe2O3 (0001) films, which were prepared in high oxygen pressures.
Библиографическая ссылка:
Wang X.
, Weiss W.
, Shaikhutdinov S.K.
, Ritter M.
, Petersen M.
, Wagner F.
, Schlögl R.
, Scheffler M.
The Hematite (α- Fe2O3) (0001) Surface: Evidence for Domains of Distinct Chemistry
Physical Review Letters. 1998. V.81. N5. P.1038-1041. DOI: 10.1103/PhysRevLett.81.1038 WOS Scopus РИНЦ
The Hematite (α- Fe2O3) (0001) Surface: Evidence for Domains of Distinct Chemistry
Physical Review Letters. 1998. V.81. N5. P.1038-1041. DOI: 10.1103/PhysRevLett.81.1038 WOS Scopus РИНЦ
Файлы:
Полный текст от издателя
Даты:
Поступила в редакцию: | 11 мар. 1998 г. |
Опубликована в печати: | 3 авг. 1998 г. |
Идентификаторы БД:
Web of science | WOS:000075130400027 |
Scopus | 2-s2.0-11544334495 |
РИНЦ | 21269851 |
Chemical Abstracts | 1998:490259 |
Chemical Abstracts (print) | 129:236036 |
OpenAlex | W2010117390 |