Lattice dynamics and superconducting properties of antiperovskite La 3InZ (Z=N,O)

Ram, S and V, Kanchana (2014) Lattice dynamics and superconducting properties of antiperovskite La 3InZ (Z=N,O). Solid State Communications, 181. pp. 54-59. ISSN 0038-1098

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Electronic and superconducting properties of La3InZ (Z=N, O) compounds are studied and are compared with La3In. From the density of states of La3InZ it is quite clear that the hybridization between La-d and In-p states gets reduced with the inclusion of the Z atom in comparison with La3In. A Fermi surface topology change is observed only in La3InO under compression, which is attributed to the non-monotonic variation of the density of states. The calculated superconducting transition temperature (Tc) is less than 2 K for N containing compound, and is found to be above 2 K for O containing compound and the trend agrees well with the experimental findings. The reason for the suppression of the Tc due to the inclusion of the Z atom is also discussed from the band structure and phonon dispersion plots, where we find the phonon modes to harden in La 3InZ

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IITH Creators:
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Item Type: Article
Additional Information: The authors would like to acknowledge IIT Hyderabad for providing the computational facility. S.R. acknowledges MHRD for the fellowship.
Uncontrolled Keywords: A. Superconductor; D. Electron-phonon interactions; D. Electronic band structure; D. Phonon
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 26 Dec 2014 05:58
Last Modified: 14 Aug 2017 10:09
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