期刊名称：International Journal of Innovative Research in Science, Engineering and Technology
印刷版ISSN：2347-6710
电子版ISSN：2319-8753
出版年度：2016
卷号：5
期号：1
页码：445
DOI：10.15680/IJIRSET.2016.0501065
出版社：S&S Publications
摘要：Some intermetallic compounds with superconducting properties were investigated by density functionaltheory. The electronic properties such as energy band structures, density of states, charge density and Fermi surfaces ofcubic ScGa3 and ScIn3 were calculated to understand the nature of superconductivity in these intermetallics. The statesat Fermi energy level are composed mainly of hybridized 3d-orbitals of Sc and 3p/4p-orbitals of Ga/In and N(EF) ismarginally greater in ScIn3 due to greater weight of Sc d-states. Optical conductivity is found to increase as a result ofabsorbing photons and falls to low values beyond 11 eV in the UV regions. ScGa3 shows very high conductivity in thevisible region and a red shift in the peaks is observed in ScIn3. The temperature dependent properties such as Hall andSeebeck coefficient increase marginally in ScIn3, although thermal conductivity decreases. From the low temperaturespecific heat, we have estimated the electron-phonon coupling constant λel-ph which has a value of 0.31 for ScGa3. Thevibrational properties illustrate softening of modes in ScGa3 which makes the lattice unstable. The calculated propertiesconfirm that both ScGa3 and ScIn3 are weak intermediate coupling superconductors.
关键词：Electronic structure; optical; transport properties; phonon dispersion; superconductivity
