Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-xCoxX (X = S, Se, Te)

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-xCoxX (X = S, Se, Te)

Popis výsledku v původním jazyce

Ab-initio calculations are performed to investigate the structural, electronic and magnetic properties of spin-polarized diluted magnetic semiconductors composed of II-VI compounds Cd1-xCoxX (X = S, Se, Te) at x = 0.25. From the calculated results of band structure and density of states, the half-metallic character and stability of ferromagnetic state for Cd1-xCoxS, Cd1-xCoxSe and Cd1-xCoxTe alloys are determined. It is found that the tetrahedral crystal field gives rise to triple degeneracy t(2g) and double degeneracy e(g). Furthermore, we predict the values of spin-exchange splitting energies Delta(x)(d) and Delta(x)(p-d) and exchange constants N-0 alpha and N-0 beta produced by the Co 3d states. Calculated total magnetic moments and the robustness of half-metallicity of Cd1-xCoxX (X = S, Se, Te) withrespecttothevariationinlattice parameters are also discussed. We also extend our calculations to x = 0.50, 0.75 for S compounds in order to observe the change due to increase in Co.

Název v anglickém jazyce

Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-xCoxX (X = S, Se, Te)

Popis výsledku anglicky

Ab-initio calculations are performed to investigate the structural, electronic and magnetic properties of spin-polarized diluted magnetic semiconductors composed of II-VI compounds Cd1-xCoxX (X = S, Se, Te) at x = 0.25. From the calculated results of band structure and density of states, the half-metallic character and stability of ferromagnetic state for Cd1-xCoxS, Cd1-xCoxSe and Cd1-xCoxTe alloys are determined. It is found that the tetrahedral crystal field gives rise to triple degeneracy t(2g) and double degeneracy e(g). Furthermore, we predict the values of spin-exchange splitting energies Delta(x)(d) and Delta(x)(p-d) and exchange constants N-0 alpha and N-0 beta produced by the Co 3d states. Calculated total magnetic moments and the robustness of half-metallicity of Cd1-xCoxX (X = S, Se, Te) withrespecttothevariationinlattice parameters are also discussed. We also extend our calculations to x = 0.50, 0.75 for S compounds in order to observe the change due to increase in Co.

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2010

Kód důvěrnosti údajů

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

Název periodika

Journal of Magnetism and Magnetic Materials

ISSN

0304-8853

e-ISSN

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Svazek periodika

322

Číslo periodika v rámci svazku

20

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

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Kód UT WoS článku

000279743800044

EID výsledku v databázi Scopus

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