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Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations

The strcutral, electronic and thermodynamic proerties of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are investigated using first-principles calculations of density functional theory (DFT) through linearized augmented plane waves (FP-LAPW) implemented within Wien2k software package. Structural, elec...

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Main Authors: Zoubir, Mahdjoub Kheireddine, Fadila, Belkharroubi, Keltoum, Boudia, Ibrahim, Ameri, Farah, Blaha Lamia, Al-Douri, Y., Mohammed, Ameri
Format: Article
Published: 2021
Subjects:
TA Engineering (General). Civil engineering (General)
TP Chemical technology
Online Access:http://eprints.um.edu.my/26217/
https://doi.org/10.1515/mt-2020-0088
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spelling my.um.eprints.262172022-02-18T04:15:01Z http://eprints.um.edu.my/26217/ Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations Zoubir, Mahdjoub Kheireddine Fadila, Belkharroubi Keltoum, Boudia Ibrahim, Ameri Farah, Blaha Lamia Al-Douri, Y. Mohammed, Ameri TA Engineering (General). Civil engineering (General) TP Chemical technology The strcutral, electronic and thermodynamic proerties of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are investigated using first-principles calculations of density functional theory (DFT) through linearized augmented plane waves (FP-LAPW) implemented within Wien2k software package. Structural, electronic and thermodynamic investigations of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are performed. Moreover, details regarding the lattice parameters, bulk modulus and its pressure derivative, band structure and density of states are elaborated upon. 2021 Article PeerReviewed Zoubir, Mahdjoub Kheireddine and Fadila, Belkharroubi and Keltoum, Boudia and Ibrahim, Ameri and Farah, Blaha Lamia and Al-Douri, Y. and Mohammed, Ameri (2021) Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations. Materials Testing, 63 (6). pp. 537-542. ISSN 0025-5300, DOI https://doi.org/10.1515/mt-2020-0088 <https://doi.org/10.1515/mt-2020-0088>. https://doi.org/10.1515/mt-2020-0088 doi:10.1515/mt-2020-0088
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic TA Engineering (General). Civil engineering (General)
TP Chemical technology
spellingShingle TA Engineering (General). Civil engineering (General)
TP Chemical technology
Zoubir, Mahdjoub Kheireddine
Fadila, Belkharroubi
Keltoum, Boudia
Ibrahim, Ameri
Farah, Blaha Lamia
Al-Douri, Y.
Mohammed, Ameri
Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations
description The strcutral, electronic and thermodynamic proerties of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are investigated using first-principles calculations of density functional theory (DFT) through linearized augmented plane waves (FP-LAPW) implemented within Wien2k software package. Structural, electronic and thermodynamic investigations of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are performed. Moreover, details regarding the lattice parameters, bulk modulus and its pressure derivative, band structure and density of states are elaborated upon.
format Article
author Zoubir, Mahdjoub Kheireddine
Fadila, Belkharroubi
Keltoum, Boudia
Ibrahim, Ameri
Farah, Blaha Lamia
Al-Douri, Y.
Mohammed, Ameri
author_facet Zoubir, Mahdjoub Kheireddine
Fadila, Belkharroubi
Keltoum, Boudia
Ibrahim, Ameri
Farah, Blaha Lamia
Al-Douri, Y.
Mohammed, Ameri
author_sort Zoubir, Mahdjoub Kheireddine
title Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations
title_short Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations
title_full Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations
title_fullStr Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations
title_full_unstemmed Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations
title_sort structural, electronic and thermodynamic investigation of ag2gdsi, ag2gdsn and ag2gd pb heusler alloys: first-principles calculations
publishDate 2021
url http://eprints.um.edu.my/26217/
https://doi.org/10.1515/mt-2020-0088
_version_ 1735409386709319680
score 13.211869

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