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First-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate

SYSNO ASEP	0422581
Druh ASEP	J - Článek v odborném periodiku
Zařazení RIV	J - Článek v odborném periodiku
Poddruh J	Článek ve WOS
Název	First-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate
Tvůrce(i)	Mašín, Martin (FZU-D) Bergqvist, L. (SE) Kudrnovský, Josef (FZU-D)_{RID, ORCID} Kotrla, Miroslav (FZU-D)_{RID, ORCID} Drchal, Václav (FZU-D)_{RID, ORCID}
Zdroj.dok.	Physical Review. B - ISSN 1098-0121 Roč. 87, č. 7 (2013), "075452-1"-"075452-7"
Poč.str.	8 s.
Jazyk dok.	eng - angličtina
Země vyd.	US - Spojené státy americké
Klíč. slova	Curie temperature ; random overlayer ; Heisenberg Hamiltonian ; first principles ; Monte Carlo simulations ; magnon spectra
Vědní obor RIV	BE - Teoretická fyzika
CEP	GA202/09/0775 GA ČR - Grantová agentura ČR
Institucionální podpora	FZU-D - RVO:68378271
UT WOS	000315482500011
EID SCOPUS	84874514868
DOI	10.1103/PhysRevB.87.075452
Anotace	We present a theoretical study of the thermodynamical properties of a fcc-Cu(001) substrate covered by an iron-cobalt monolayer as well as by an incomplete iron layer. The effective two-dimensional Heisenberg Hamiltonian is constructed from first principles and the properties of exchange interactions are investigated. The Curie temperatures are estimated using the Monte Carlo (MC) simulations and compared with a simplified approach using the random-phase approximation (RPA) in connection with the virtual-crystal approach (VCA) to treat randomness in exchange integrals. Calculations indicate a weak maximum of the Curie temperature as a function of composition of the iron-cobalt overlayer. While a good quantitative agreement between RPA-VCA and MC was found for the iron-cobalt monolayer, the RPA-VCA approach fails for low coverage due to the magnetic percolation effect. We also present a study of the effect of alloy disorder on the shape of magnon spectra of random overlayers.
Pracoviště	Fyzikální ústav
Kontakt	Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
Rok sběru	2014

Počet záznamů: 1