Publisher DOI: 10.1103/PhysRevB.86.184418
Title: Search for stable ferromagnets among AIV/Fe digital alloys (AIV= Si, Ge) using first-principles calculations
Language: English (United States)
Authors: Otrokov, M. M. 
Fischer, G. 
Buczek, Pawel  
Ernst, Arthur 
Chulkov, E. V. 
Issue Date: 15-Nov-2012
Publisher: American Physical Society
Journal or Series Name: Physical Review B - Condensed Matter and Materials Physics 
Volume: 86
Issue: 18
Abstract: 
Using first-principles electronic structure calculations we investigate the existence of stable ferromagnets among the AIV/Fe digital alloys (AIV=Si,Ge), modeled as periodic sequence of Fe monolayers in the AIV host. Total-energy calculations and the magnetic force theorem are exploited for accurate determination of the magnetic ordering. To estimate the critical temperatures, Monte Carlo simulations are employed, while the renormalization-group analytical expressions are applied to assess the impact of the interlayer exchange on the critical temperature values. According to our results, among the systems under consideration only the Ge-based alloys feature a stable ferromagnetic ordering at nonzero temperature. The critical temperatures of these systems were found to be strongly dependent on the underlying crystal structure. © 2012 American Physical Society.
URI: https://reposit.haw-hamburg.de/handle/20.500.12738/10865
ISSN: 1538-4489
Institute: Fakultät Technik und Informatik 
Department Informations- und Elektrotechnik 
Type: Article
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