The present work pursues two main goals; first to carry out ab-initio calculation of the phonon spectra of some transition metal nitrides TMN (TM = Ti, V and Cr) in rocksalt and orthorhombic phases of CrN, and secondly, understanding the superconducting mechanism which is always full of interest. Theoretical calculations of electronic structure, phonon structure and electron–phonon interaction can serve as an useful tool to gain a preliminary insight into the superconductivity. Therefore, in this
Gabexate work we start from first-principles calculation to get the superconducting mechanism of TMN (TM = Ti, V and Cr) rocksalt phase
compound and orthorhombic phase of CrN compounds via a complete knowledge of the electron–phonon-related properties in their normal state. This paper is organized as follows: the detailed computational method is described in Section 2, the results and discussion of electronic structure, phonon spectra as well as electron–phonon interaction and thermodynamical properties are given in Section 3 followed by conclusion in Section 4.
