|
ИСТИНА |
Войти в систему Регистрация |
Интеллектуальная Система Тематического Исследования НАукометрических данных |
||
Crystal and Electronic Structure of the Room Temperature Organometallic Ferrimagnet V(TCNE)(2). Analysis of Numerical DoS and Magnetic Properties as Related to Orbital and Spin-Hamiltonian Modelsстатья
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: 18 июля 2013 г.
- Авторы: Tchougreeff Andrei L., Dronskowski Richard
- Журнал: International Journal of Quantum Chemistry
- Том: 111
- Номер: 11
- Год издания: 2011
- Издательство: John Wiley & Sons Inc.
- Местоположение издательства: United States
- Первая страница: 2490
- Последняя страница: 2509
- DOI: 10.1002/qua.22661
- Аннотация: We present a detailed analysis of the results of our numerical study of the crystal and electronic structure of the room temperature organometallic ferrimagnet of general composition V(TCNE)(x) with x approximate to 2. The results of the LSDA+U study show that the experimentally determined structure complies with the magnetic measurements and thus can serve as a prototype structure for the entire family of the M(TCNE)(2) organometallic magnets. The results of the numerical study and of the magnetic experiments are interpreted using a spin-wave treatment of the model Hamiltonians proposed here. This allowed us to obtain estimates of the critical temperature in three-and two-dimensional regimes and to give an explanation of the differences in behavior of probably isostructural V(TCNE)(2) and Fe(TCNE)(2) species. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 2490-2509, 2011
- Добавил в систему: Чугреев Андрей Львович