Electronic structure and Fermi-surface properties of superconducting NbN
- Naval Research Lab., Washington, DC (United States)
A recently discovered metastable phase of superconducting NbN (T{sub c}=16.4 K) is characterized within the local-density approximation. This new phase which has Pm3m (cubic) symmetry and can be described as the rocksalt structure with 25% ordered vacancies, has been previously observed for NbO. Theoretical band structure and normal-state transport properties are reported, as well as other Fermi-surface properties. For this new phase the Fermi level falls just below a pseudogap related to the ordered vacancy structure. The authors also find a strong enhancement of the Fermi-level density of states, with predominantly niobium d character, corresponding to the reported increase in T{sub c} relative to the rocksalt phase. They compare the electronic spectrum, ionicity, and bonding characteristics of this Pm3m phase with its rocksalt counterpart as well as with the corresponding phases of NbO.
- OSTI ID:
- 375017
- Report Number(s):
- CONF-9304297--
- Journal Information:
- Bulletin of the American Physical Society, Journal Name: Bulletin of the American Physical Society Journal Issue: 2 Vol. 40; ISSN 0003-0503; ISSN BAPSA6
- Country of Publication:
- United States
- Language:
- English
Similar Records
Instability of Rock-Salt Cubic NbN in Density Functional Calculations
Atom vacancies and their effects on the properties of NbN containing carbon, oxygen, or boron. I. Phase boundary, thermodynamics, and lattice parameter