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Classical and quantum aspects of spin interaction in 3 d chains on a C u 3 N -Cu(110) molecular networkстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 12 января 2017 г.
- Авторы: Bazhanov D.I., Stepanyuk O.V., Farberovich O.V., Stepanyuk V.S.
- Журнал: Physical Review B
- Том: 93
- Номер: 3
- Год издания: 2016
- Издательство: American Physical Society
- Местоположение издательства: United States
- Первая страница: 035444
- DOI: 10.1103/physrevb.93.035444
- Аннотация: We present a study of the magnetic states and exchange coupling in transition-metal Mn, Fe, and Co atomic chains deposited on a self-corrugated Cu3N-Cu(110) molecular network by means of first-principles calculations based on the density functional theory. The various adsorption sites on a bumping area of a self-corrugated Cu3N layer are investigated where the atomic chains are formed at the initial stage of nanowire growth. We demonstrate, by calculating the ground-state magnetic configurations, that the exchange coupling, magnetic order, and anisotropies in atomic chains depend sensitively on their chemical composition and adsorption sites on the Cu3N network. We find that the exchange interactions in atomic chains could lead to ferromagnetic or antiferromagnetic coupling of atomic spins depending on the position of the chain on the surface. The classical spin dynamics is investigated by means of the kinetic Monte Carlo method based on transition-state theory. Moreover we evaluate the Heisenberg–Dirac–Van Vleck quantum spin Hamiltonian for calculations of the magnetic susceptibility, in order to demonstrate the existence of quantum entanglement in the antiferromagnetic atomic chains at low temperatures.
- Добавил в систему: Бажанов Дмитрий Игоревич