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Electron–phonon interaction in the binary supraconductor Lutetium carbide LuC2 via first principle calculation
Last modified: 2018-07-22
Abstract
In this work, we have studied the Structural, electronic and superconducting properties of the intermetallic compound LuC2. All calculations were performed by the first-principles calculations using the plane wave pseudo potential (PP-PW) based on the density functional theory DFT and PDFT implemented in the QUANTUM ESPRESSO code, For the exchange correlation function we used the generalized gradient approximation GGA of Perdew–Burke–Ernzerhof (PBE).
Our results are in agreement with the available experimental data. The obtained low value of electron phonon coupling parameter confirmed that LuC2 is a weak coupling Bardeen-Copper-Schrieffer (BCS) superconductor.