IndiumV3, Chine, Analysis, bibRecord, 000B49

First-principles investigation on the phase stability and chemical bonding of mInSb.nInTe phase-change random alloys

Identifieur interne : 000B49 ( Chine/Analysis ); précédent : 000B48; suivant : 000B50

First-principles investigation on the phase stability and chemical bonding of mInSb.nInTe phase-change random alloys

Auteurs : RBID : Pascal:10-0348016

Descripteurs français

Pascal (Inist)
- Stabilité phase, Structure cristalline, Liaison chimique, Transformation phase, Phase aléatoire, Calcul ab initio, Phase métastable, Chaleur formation, Equation état, Tellurure d'indium, Energie totale, Matériau PCM, Antimoniure d'indium, Semiconducteur.

English descriptors

KwdEn :
- Ab initio calculations, Chemical bonds, Crystal structure, Equations of state, Heat of formation, Indium antimonides, Indium tellurides, Metastable phases, PCM material, Phase stability, Phase transformations, Random phase, Semiconductor materials, Total energy.

Abstract

The phase stability and bond character of mInSb.nInTe (m = 1, n = 2 or 3) phase-change materials have been investigated by means of ab initio calculations. The results show that In₃SbTe₂ (IST312) is a metastable phase and is less stable than In₄Sb₁Te₃ (IST413). IST312 will decompose into InSb and InTe as analyzed by formation energies. The chemical bonding in IST312 is rather inhomogeneous, i.e. strong and weak In-Sb or In-Te bonded pairs observed in IST312, which is similar to the available phase-change materials and may lead to its easy phase-change. While in IST413, the bond strengths of In-Sb or In-Te are identical. The present results will provide a fundamental understanding on the phase stability and chemical bonding of mInSb.nInTe (m = 1, n = 2 or 3) alloys and may be applied to develop new InSbTe based phase-change materials.

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Le document en format XML

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<author><name>NAIHUA MIAO</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Materials Science and Engineering, College of Materials, Xiamen University</s1>
<s2>361005 Xiamen</s2>
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<country>République populaire de Chine</country>
<wicri:noRegion>361005 Xiamen</wicri:noRegion>
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</author>
<author><name>BAISHENG SA</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Materials Science and Engineering, College of Materials, Xiamen University</s1>
<s2>361005 Xiamen</s2>
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<country>République populaire de Chine</country>
<wicri:noRegion>361005 Xiamen</wicri:noRegion>
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<author><name>JIAN ZHOU</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Materials Science and Engineering, College of Materials, Xiamen University</s1>
<s2>361005 Xiamen</s2>
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<country>République populaire de Chine</country>
<wicri:noRegion>361005 Xiamen</wicri:noRegion>
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<author><name>ZHIMEI SUN</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Materials Science and Engineering, College of Materials, Xiamen University</s1>
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<author><name sortKey="Blomqvist, Andreas" uniqKey="Blomqvist A">Andreas Blomqvist</name>
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<author><name sortKey="Ahuja, Rajeev" uniqKey="Ahuja R">Rajeev Ahuja</name>
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<term>Indium antimonides</term>
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<term>Metastable phases</term>
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<front><div type="abstract" xml:lang="en">The phase stability and bond character of mInSb.nInTe (m = 1, n = 2 or 3) phase-change materials have been investigated by means of ab initio calculations. The results show that In<sub>3</sub>
SbTe<sub>2</sub>
 (IST312) is a metastable phase and is less stable than In<sub>4</sub>
Sb<sub>1</sub>
Te<sub>3</sub>
 (IST413). IST312 will decompose into InSb and InTe as analyzed by formation energies. The chemical bonding in IST312 is rather inhomogeneous, i.e. strong and weak In-Sb or In-Te bonded pairs observed in IST312, which is similar to the available phase-change materials and may lead to its easy phase-change. While in IST413, the bond strengths of In-Sb or In-Te are identical. The present results will provide a fundamental understanding on the phase stability and chemical bonding of mInSb.nInTe (m = 1, n = 2 or 3) alloys and may be applied to develop new InSbTe based phase-change materials.</div>
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SbTe<sub>2</sub>
 (IST312) is a metastable phase and is less stable than In<sub>4</sub>
Sb<sub>1</sub>
Te<sub>3</sub>
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First-principles investigation on the phase stability and chemical bonding of mInSb.nInTe phase-change random alloys

First-principles investigation on the phase stability and chemical bonding of mInSb.nInTe phase-change random alloys

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri