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:: year 8, Issue 2 (Journal of Acoustical Engineering Society of Iran 2021) ::
مجله علمی پژوهشی انجمن مهندسی صوتیات ایران 2021, 8(2): 96-103 Back to browse issues page
Ab-initio calculation of elastic, mechanical and acoustic properties of BeX (X= S, Se, Te) compounds (Research Article)
H. Salehi *, P. Amiri, F. Hashemi
Abstract:   (605 Views)
In this paper the elastic, mechanical (stability, anisotropy and Poisson's coefficients) and acoustic properties of BeX (X= S, Se, Te) have been investigated. Calculations with Full potential linear augmented plane wave have been performed in the framework of density functional theory with LDA, PBE-GGA and MBJ approximations by using Wien2k computational package. Elastic properties such as, elastic constants, Shear modulus, Young modulus and Debye temperature were calculated within various approximations for cubic and hexagonal structural phases. The calculated elastic properties indicate the give rise to an elastic stability and anisotropy property of the compounds. The results also indicate that these compounds are more brittle in the cubic phase and more malleable in the hexagonal phase. In fact, the ductility of these compounds in the cubic structural phase is low and they can be placed in the category of non-formable materials.
Keywords: Density functional theory, Acoustic properties, Elastic properties, Elastic stability.
Full-Text [PDF 233 kb]   (218 Downloads)    
Type of Study: Research | Subject: Hydroacoustics
Received: 2020/10/6 | Accepted: 2021/03/2 | Published: 2021/03/10
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Salehi H, Amiri P, Hashemi F. Ab-initio calculation of elastic, mechanical and acoustic properties of BeX (X= S, Se, Te) compounds (Research Article). مجله علمی پژوهشی انجمن مهندسی صوتیات ایران. 2021; 8 (2) :96-103
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year 8, Issue 2 (Journal of Acoustical Engineering Society of Iran 2021) Back to browse issues page
مجله علمی-پژوهشی انجمن lمهندسی صوتیات ایران Journal of Acoustical Engineering Society of Iran
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