First principles study of structural, electronic and magnetic properties of Mg(1-x)Mn(x)Te alloys

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F11%3A43881954" target="_blank" >RIV/60076658:12640/11:43881954 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jallcom.2011.04.133" target="_blank" >http://dx.doi.org/10.1016/j.jallcom.2011.04.133</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jallcom.2011.04.133" target="_blank" >10.1016/j.jallcom.2011.04.133</a>

Result language
angličtina
Original language name
First principles study of structural, electronic and magnetic properties of Mg(1-x)Mn(x)Te alloys
Original language description
Density functional FP-LAPW + lo calculations have been performed to study the structural, electronic and magnetic properties of Mg(1-x)Mn(x)Te for compositional parameter x = 0.25, 0.50, 0.75 and 1. Our calculations reveal the occurrence of ferromagnetism in these compounds in which the transition-metal atom is ordered in a periodical way thereby interacting directly with the host atoms. Results extracted from electronic band structure and density of states (DOS) of these alloys show the existence of direct energy band gap for both majority-and minority-spin cases, while the total energy calculations confirm the stability of ferromagnetic state as compared to anti-ferromagnetic state. The total magnetic moment for Mg(1-x)Mn(x)Te for each composition isfound to be approximately 5 mu(B), which indicates that the addition of Mn content does not affect the hole carrier concentration of the perfect MgTe compound. Moreover, the s-d exchange constant (N(0)alpha) and p-d exchange constant (N(
Czech name
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Czech description
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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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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)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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