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:: year 9, Issue 2 (Journal of Acoustical Engineering Society of Iran 2022) ::
مجله علمی پژوهشی انجمن مهندسی صوتیات ایران 2022, 9(2): 90-97 Back to browse issues page
Investigation of phononic and thermal properties of the compound FeAl and Fe3Al using pseudopotentials method (Research Article)
H. Salehi *, P. Amiri, H. Zakavi Moghadam
Abstract:   (996 Views)
Iron aluminide intermetallic compound, including compounds that have great features is that it's so great properties, due to its increasing use in industry is different. In thiswork, structural and dynamic properties of FeAl compounds including the structure of energybands, density of states, phonon and thermal properties in two-phase structures regularly evaluated and calculated. Calculations using a Pseudoptential, within the framework of density functional theory have been studied PWscf code. The study found that the combination of these features in your base has a metal in ferromagnetic order, the results of the electronicstructure of this compound are indicative of metal and the structure of the electron cloud indicates the ionic bond -covalent for two phases results in good agreement with the experimental results are available.
Keywords: FeAl, Thermal properties, Density functional theory, PWscf.
Full-Text [PDF 129 kb]   (389 Downloads)    
Type of Study: Research | Subject: Sonophysics
Received: 2021/05/9 | Accepted: 2022/01/14 | Published: 2022/03/1
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Salehi H, Amiri P, Zakavi Moghadam H. Investigation of phononic and thermal properties of the compound FeAl and Fe3Al using pseudopotentials method (Research Article). مجله علمی پژوهشی انجمن مهندسی صوتیات ایران 2022; 9 (2) :90-97
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year 9, Issue 2 (Journal of Acoustical Engineering Society of Iran 2022) Back to browse issues page
مجله علمی-پژوهشی انجمن علوم صوتی ایران Journal of Acoustical Society of Iran
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