Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F14%3A43886871" target="_blank" >RIV/60076658:12520/14:43886871 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0749603613003741" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0749603613003741</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.spmi.2013.10.037" target="_blank" >10.1016/j.spmi.2013.10.037</a>
Alternative languages
Result language
angličtina
Original language name
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations
Original language description
Using the first-principles full-potential linear muffin-tin orbital (FP-LMTO) method based on density functional theory, we have investigated the electronic structure and magnetism of order dilute ferromagnetic semiconductor Al1-xCrxP (x = 0.125, 0.25 and 0.50) and the superlattices (AlP)(1)/(CrP)(1) and (AlP)(3)/(CrP)(1). For the exchange-correlation functional, the generalized gradient approximation (GGA) has been used. It is shown that these compounds are half-metallic ferromagnets. Calculations of the s-d exchange constant N-0 alpha and p-d exchange constant N-0 beta clearly indicate the magnetic nature of these compounds. We observe that p-d hybridization reduces the local magnetic moment of Cr from its free space charge value and produces small local magnetic moments on the non-magnetic Al and P sites.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Superlattices and Microstructures
ISSN
0749-6036
e-ISSN
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Volume of the periodical
65
Issue of the periodical within the volume
Neuveden
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
195-205
UT code for WoS article
000330820100021
EID of the result in the Scopus database
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