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Electronic Structure and Superconductivity of NbN under High Pressure
Author(s) -
Palanivel B.,
Kalpana G.,
Rajagopalan M.
Publication year - 1993
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221760119
Subject(s) - superconductivity , condensed matter physics , electronic band structure , electronic structure , niobium , electrical resistivity and conductivity , atom (system on chip) , tin , superconducting transition temperature , nitride , ambient pressure , physics , materials science , thermodynamics , quantum mechanics , nanotechnology , layer (electronics) , computer science , metallurgy , embedded system
The band structure and superconductivity of niobium nitride in the NaCl structure under pressure is theoretically calculated. The effect of pressure on the band structure is obtained by means of the self‐consistent linear muffin‐tin orbital method. The calculated equation of state is in good agreement with experimental results. The calculated value of the cell parameter is 0.4475 nm which is in agreement with the experimental value. McMillan's formula is used to calculate the values of the superconducting transition temperature ( T c ). The parameters necessary to calculate T c are taken from the band structure outputs. The theoretically calculated value of T c under ambient condition is 14.594 K which compares well with the experimental value. Further increase in pressure increases the T c values which may be due to sp → d electron transfer from nonmetal to metal atom.