2021
DOI: 10.1016/j.rinp.2021.104612
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A comprehensive DFT based insights into the physical properties of tetragonal superconducting Mo5PB2

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Cited by 44 publications
(13 citation statements)
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“…3. The high value of for the studied system in comparison with other materials [46][47] indicates excellent lubricating properties of CsV 3 Sb 5 , which may have potential in manufacturing industry. For pressures above 12 GPa, the machinability index of CsV 3 Sb 5 exceeds that of gold (Au).…”
Section: Mechanical and Elastic Propertiesmentioning
confidence: 74%
“…3. The high value of for the studied system in comparison with other materials [46][47] indicates excellent lubricating properties of CsV 3 Sb 5 , which may have potential in manufacturing industry. For pressures above 12 GPa, the machinability index of CsV 3 Sb 5 exceeds that of gold (Au).…”
Section: Mechanical and Elastic Propertiesmentioning
confidence: 74%
“…As anticipated from the elastic constant calculations, the lower value of the shear modulus relative to the bulk modulus indicates that the applied shear component can control the mechanical failure of SrSi 2 . Low values of the elastic moduli of SrSi 2 compared to several other binary metallic compounds [41,42,61,62], indicate its soft nature. The bulk to shear modulus ratio of a solid, known as Pugh's ratio, 𝐵 𝐺 ⁄ is used to understand the ductile or brittle nature of the material [40,42,57,63].…”
Section: Functionalmentioning
confidence: 98%
“…The calculated value of ρC P for SrSi 2 is also presented in Table V. Low value of ρC P for SrSi 2 compared to many other metallic substances [41,61,62] suggests that the compound under study is comparatively more sensitive to changes in thermal energy.…”
Section: Heat Capacity and Dominant Phonon Wavelengthmentioning
confidence: 99%
“…The covalent nature of a material increases with the increasing value of Young's modulus and it is a measure of the stiffness (resistance) of an elastic material to a change in its length [51,52]. The bulk modulus and Young's modulus of TiC are lower than those of NbC and TaC, respectively.…”
Section: Elastic Propertiesmentioning
confidence: 99%
“…The wavelength of the dominant phonon is the wavelength, λ dom , at which the phonon distribution attains a peak. The wavelength of the dominant phonon for XC (X = Nb, Ta, Ti) at 300 K has been calculated by the following relationship [52,120]:…”
Section: (F) Dominant Phonon Modementioning
confidence: 99%