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Elastic modulus and thermal properties of InN in the rocksalt phase

Identifieur interne : 000146 ( Main/Repository ); précédent : 000145; suivant : 000147

Elastic modulus and thermal properties of InN in the rocksalt phase

Auteurs : RBID : Pascal:14-0036168

Descripteurs français

Pascal (Inist)
- Dispersion phonon, Chaleur massique, Constante élasticité, Mode vibration, Propriété thermodynamique, Calcul ab initio, Onde plane, Pseudopotentiel, Méthode fonctionnelle densité, Approximation densité locale, Effet pression, Nitrure d'indium, Structure NaCl, InN.

English descriptors

KwdEn :
- Ab initio calculations, Density functional method, Elastic constants, Indium nitride, Local density approximation, NaCl structure, Phonon dispersion, Plane waves, Pressure effects, Pseudopotential, Specific heat, Thermodynamic properties, Vibrational modes.

Abstract

Elastic constants, vibration modes and thermodynamic properties of InN in the rocksalt phase are presented by means of ab initio calculations in the framework of plane-wave pseudopotential implementation of the density functional theory with the local density approximation and response-function calculations. The pressure dependence of the elastic constants and phonon frequencies was investigated. Moreover, the influence of temperature on the entropy and heat capacity is also discussed. The computed values are in good agreement with the data available in the literature.

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Pascal:14-0036168

Le document en format XML

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<author><name sortKey="Saib, S" uniqKey="Saib S">S. Saib</name>
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<sZ>1 aut.</sZ>
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<country>Algérie</country>
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<author><name sortKey="Bouarissa, N" uniqKey="Bouarissa N">N. Bouarissa</name>
<affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Department of Physics, College of Science and Arts, Najran University, P.O. Box 1988</s1>
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<affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Centre for Advanced Materials and Nano-Research (CAMNR), Najran University</s1>
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<author><name sortKey="Rodriguez Hernandez, P" uniqKey="Rodriguez Hernandez P">P. Rodriguez-Hernandez</name>
<affiliation wicri:level="2"><inist:fA14 i1="04"><s1>Departamento de Fisica Fundamental II, Universidad de La Laguna</s1>
<s2>La Laguna 38205, Tenerife</s2>
<s3>ESP</s3>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
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<country>Espagne</country>
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<author><name sortKey="Munoz, A" uniqKey="Munoz A">A. Munoz</name>
<affiliation wicri:level="2"><inist:fA14 i1="04"><s1>Departamento de Fisica Fundamental II, Universidad de La Laguna</s1>
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<date when="2014">2014</date>
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<term>Density functional method</term>
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<term>Indium nitride</term>
<term>Local density approximation</term>
<term>NaCl structure</term>
<term>Phonon dispersion</term>
<term>Plane waves</term>
<term>Pressure effects</term>
<term>Pseudopotential</term>
<term>Specific heat</term>
<term>Thermodynamic properties</term>
<term>Vibrational modes</term>
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<front><div type="abstract" xml:lang="en">Elastic constants, vibration modes and thermodynamic properties of InN in the rocksalt phase are presented by means of ab initio calculations in the framework of plane-wave pseudopotential implementation of the density functional theory with the local density approximation and response-function calculations. The pressure dependence of the elastic constants and phonon frequencies was investigated. Moreover, the influence of temperature on the entropy and heat capacity is also discussed. The computed values are in good agreement with the data available in the literature.</div>
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<s3>DZA</s3>
<sZ>1 aut.</sZ>
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<fA14 i1="02"><s1>Department of Physics, College of Science and Arts, Najran University, P.O. Box 1988</s1>
<s2>Najran</s2>
<s3>SAU</s3>
<sZ>2 aut.</sZ>
</fA14>
<fA14 i1="03"><s1>Centre for Advanced Materials and Nano-Research (CAMNR), Najran University</s1>
<s2>Najran 11001</s2>
<s3>SAU</s3>
<sZ>2 aut.</sZ>
</fA14>
<fA14 i1="04"><s1>Departamento de Fisica Fundamental II, Universidad de La Laguna</s1>
<s2>La Laguna 38205, Tenerife</s2>
<s3>ESP</s3>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
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<fC01 i1="01" l="ENG"><s0>Elastic constants, vibration modes and thermodynamic properties of InN in the rocksalt phase are presented by means of ab initio calculations in the framework of plane-wave pseudopotential implementation of the density functional theory with the local density approximation and response-function calculations. The pressure dependence of the elastic constants and phonon frequencies was investigated. Moreover, the influence of temperature on the entropy and heat capacity is also discussed. The computed values are in good agreement with the data available in the literature.</s0>
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<s5>05</s5>
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<s5>08</s5>
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<s5>14</s5>
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<fC03 i1="11" i2="3" l="ENG"><s0>Pressure effects</s0>
<s5>14</s5>
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<fC03 i1="12" i2="X" l="FRE"><s0>Nitrure d'indium</s0>
<s5>15</s5>
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<s5>15</s5>
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<fC03 i1="13" i2="X" l="SPA"><s0>Estructura NaCl</s0>
<s5>16</s5>
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<fC03 i1="14" i2="3" l="FRE"><s0>InN</s0>
<s4>INC</s4>
<s5>52</s5>
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<fN21><s1>041</s1>
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Elastic modulus and thermal properties of InN in the rocksalt phase

Elastic modulus and thermal properties of InN in the rocksalt phase

Descripteurs français

English descriptors

Abstract

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