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| Content Provider | Taylor & Francis Online |
|---|---|
| Author | Kholil, Md Ibrahim Islam, Md Shahinur Rahman, Md Atikur Ahuja, Rajeev |
| Abstract | Structural, elastic, electronic, optical, thermodynamic, and superconducting properties of the Laves phase superconductor LaRu2 with Tc ~ 1.63 K were investigated using the first-principles calculations for the first time. The corresponding evaluated structural parameters are in good agreement with the available theoretical values. The different elastic properties like as, elastic constants, bulk modulus B, shear modulus G, Young’s modulus E, and Poisson ratio ν were calculated using the Voigt–Reuss–Hill approximation. The ductility nature appears in both values of Cauchy pressure and Pugh’s ratio. The band structure and Cauchy pressure shows that the material behaves metallic nature. The calculated total density of state is 6.80 (electrons/eV) of LaRu2. The optical properties such as reflectivity, absorption spectrum, refractive index, dielectric function, conductivity, and energy loss spectrum are also calculated. The photoconductivity reveals the metallic nature of LaRu2 and absorption coefficient is good in the infrared region. The evaluated density and Debye temperature are 9.55 gm/cm3 and 110.51 K, respectively. In addition, the study of thermodynamic properties like as minimum thermal conductivity, melting temperature, and Dulong–Petit limit are 0.26 (Wm−1 K−1), 1,471.65 K, and 74.80 (J/mole K), respectively. Finally, the investigated electron-phonon coupling constant is 0.66 of LaRu2 superconductor. |
| File Format | PDF HTM / HTML |
| Journal | Cogent Physics |
| Volume Number | 4 |
| Issue Number | 1 |
| Language | English |
| Publisher | Cogent |
| Publisher Date | 2017-08-07 |
| Access Restriction | Open |
| Subject Keyword | Laves phase Elastic properties Electronic properties Optical properties Thermodynamic properties Superconducting properties |
| Content Type | Text |
| Resource Type | Article |
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