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• W2912078696 endingPage "1850357" @default.
• W2912078696 startingPage "1850357" @default.
• W2912078696 abstract "In this paper, we have explored the physical, mechanical, chemical bonding, dialectical and thermodynamic properties of ARh 2 Ge 2 (A = Ca, Sr, Y and Ba) theoretically for the first time. This investigation has been completed by density functional theory (DFT) calculations with the help of CASTEP code. The structural optimized factors of ARh 2 Ge 2 (A = Ca, Sr, Y and Ba) are in excellent concurrence with the existing experimental data. The observed elastic constants are positive and prove the mechanical constancy for all these compounds. The calculated Pugh’s ratio and Poisson’s ratio show the ductile behaviors of Ca/YRh 2 Ge 2 and brittleness behaviors of Sr/BaRh 2 Ge 2 , whereas the Cauchy pressure indicates the ductility for all these phases. The anisotropic factors, universal anisotropy indicator and fraction of anisotropy in compression and shear ensure the elastically anisotropic nature for all these phases. Bulk modulus and hardness values indicate that Sr/BaRh 2 Ge 2 are soft and easily machinable in comparison with Y/CaRh 2 Ge 2 . The analysis of the band structure diagrams as well as density of states (total density of states and partial density of states) evidence the metallic behavior for all the compounds. The analysis of Mulliken bond populations and charge density maps give the existence of covalent and metallic bonding in these compounds. The optical properties point out that all phases can be used as coating materials at low energies. For all the phases the Debye temperatures have been calculated via elastic constant data. We have also evaluated the minimum thermal conductivity for these compounds. All compounds possess the relatively low minimum thermal conductivity with the low value of Debye temperatures which also evidence that all compounds could be applied like thermal fence covering material." @default.
• W2912078696 created "2019-02-21" @default.
• W2912078696 creator A5006126394 @default.
• W2912078696 creator A5047043024 @default.
• W2912078696 date "2018-12-30" @default.
• W2912078696 modified "2023-10-11" @default.
• W2912078696 title "Physical properties of ThCr₂Si₂-type Rh-based compounds <i>A</i>Rh₂Ge₂(<i>A</i> = Ca, Sr, Y and Ba): DFT based first-principles investigation" @default.
• W2912078696 cites W1116044831 @default.
• W2912078696 cites W137723166 @default.
• W2912078696 cites W1543913999 @default.
• W2912078696 cites W1551846171 @default.
• W2912078696 cites W1622909354 @default.
• W2912078696 cites W1650728208 @default.
• W2912078696 cites W1662413121 @default.
• W2912078696 cites W1668763260 @default.
• W2912078696 cites W1678634270 @default.
• W2912078696 cites W1764792999 @default.
• W2912078696 cites W1968111157 @default.
• W2912078696 cites W1969868465 @default.
• W2912078696 cites W1981368803 @default.
• W2912078696 cites W1982482141 @default.
• W2912078696 cites W1984003326 @default.
• W2912078696 cites W1984359813 @default.
• W2912078696 cites W1985910672 @default.
• W2912078696 cites W1985998099 @default.
• W2912078696 cites W1990288804 @default.
• W2912078696 cites W1993952648 @default.
• W2912078696 cites W1994808267 @default.
• W2912078696 cites W1997440426 @default.
• W2912078696 cites W2001930367 @default.
• W2912078696 cites W2004318959 @default.
• W2912078696 cites W2005094750 @default.
• W2912078696 cites W2011238732 @default.
• W2912078696 cites W2022093803 @default.
• W2912078696 cites W2025838043 @default.
• W2912078696 cites W2028957678 @default.
• W2912078696 cites W2036113194 @default.
• W2912078696 cites W2036433499 @default.
• W2912078696 cites W2039613245 @default.
• W2912078696 cites W2046453325 @default.
• W2912078696 cites W2046806364 @default.
• W2912078696 cites W2049311515 @default.
• W2912078696 cites W2051567485 @default.
• W2912078696 cites W2053024210 @default.
• W2912078696 cites W2067331348 @default.
• W2912078696 cites W2067336353 @default.
• W2912078696 cites W2068278458 @default.
• W2912078696 cites W2070090637 @default.
• W2912078696 cites W2073531811 @default.
• W2912078696 cites W2079039991 @default.
• W2912078696 cites W2081454394 @default.
• W2912078696 cites W2082229919 @default.
• W2912078696 cites W2084163611 @default.
• W2912078696 cites W2084858759 @default.
• W2912078696 cites W2086032424 @default.
• W2912078696 cites W2086321542 @default.
• W2912078696 cites W2086705171 @default.
• W2912078696 cites W2087585288 @default.
• W2912078696 cites W2093223980 @default.
• W2912078696 cites W2093883612 @default.
• W2912078696 cites W2095334472 @default.
• W2912078696 cites W2095458918 @default.
• W2912078696 cites W2099984234 @default.
• W2912078696 cites W2147699377 @default.
• W2912078696 cites W2148056968 @default.
• W2912078696 cites W2148816660 @default.
• W2912078696 cites W2159752439 @default.
• W2912078696 cites W2164276047 @default.
• W2912078696 cites W2191012608 @default.
• W2912078696 cites W2230728100 @default.
• W2912078696 cites W2232019971 @default.
• W2912078696 cites W226994280 @default.
• W2912078696 cites W2324179354 @default.
• W2912078696 cites W2346043861 @default.
• W2912078696 cites W2460725865 @default.
• W2912078696 cites W2534344544 @default.
• W2912078696 cites W2537171216 @default.
• W2912078696 cites W2538092426 @default.
• W2912078696 cites W2555152543 @default.
• W2912078696 cites W2556449403 @default.
• W2912078696 cites W2557699263 @default.
• W2912078696 cites W2558729680 @default.
• W2912078696 cites W2588282594 @default.
• W2912078696 cites W2593901993 @default.
• W2912078696 cites W2620478369 @default.
• W2912078696 cites W2621592002 @default.
• W2912078696 cites W2767325369 @default.
• W2912078696 cites W2773539774 @default.
• W2912078696 cites W2793035664 @default.
• W2912078696 cites W2949737719 @default.
• W2912078696 cites W2950393567 @default.
• W2912078696 cites W3023127551 @default.
• W2912078696 cites W3121767227 @default.
• W2912078696 cites W3125099337 @default.
• W2912078696 cites W3125938030 @default.
• W2912078696 doi "https://doi.org/10.1142/s0217979218503575" @default.
• W2912078696 hasPublicationYear "2018" @default.
• W2912078696 type Work @default.

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