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Ab Initio Studies of the Energy Characteristics and Magnetic Properties of Point Defects in GaAs
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- Baykov, Vitaly (author)
- KTH,Materialvetenskap
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- Isaev, P. A. (author)
- Moscow State Institute of Steel and Alloys
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- Korzhavyi, Pavel A. (author)
- KTH,Materialvetenskap
- show more...
- Isaev, E.I. (author)
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- (creator_code:org_t)
- Pleiades Publishing Ltd, 2005
- 2005
- English.
- In: Physics of the solid state. - : Pleiades Publishing Ltd. - 1063-7834 .- 1090-6460. ; 47:10, s. 1831-1836
- Journal article (peer-reviewed)
Abstract
Subject headings
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- The formation energies of intrinsic point defects and solution energies of transition metal impurities in gallium arsenide are determined on the basis of ab initio calculations using the method of a locally self-consistent Green's function, which is a generalization of the coherent potential approximation. Based on the calculated energies, the conclusion is made that the As-Ga antisite defect is the most common intrinsic defect in GaAs. Calculations showed that transition metal impurities, except for Ni, preferentially occupy gallium sites substitutionally. The magnetic moments of impurity atoms are calculated as a function of the chemical environment. It is shown that, in compensated GaAs, Mn atoms tend to form clusters.
Subject headings
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Annan materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Other Materials Engineering (hsv//eng)
Keyword
- TECHNOLOGY
- TEKNIKVETENSKAP
- NATURAL SCIENCES
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- ref (subject category)
- art (subject category)
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