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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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(

Název v anglickém jazyce

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

Popis výsledku anglicky

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(

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Alloys and Compounds

ISSN

0925-8388

e-ISSN

—

Svazek periodika

509

Číslo periodika v rámci svazku

32

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

7

Strana od-do

8137-8143

Kód UT WoS článku

000292502100001

EID výsledku v databázi Scopus

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