With the use of the LMTO-Green's Function method a study was made of the electronic states of non-metal and metal vacancies in refractory interstitial alloys: TiC, TiN, TiO, VC, VN, VO. It is established that the generation of lattice defects is accompanied by the formation of filled vacancy states in the energy spectrum of nonstoichiometric compounds. Changes in binary alloy electronic properties vs defect concentration are discussed. Processes of rearrangement of local interatomic bonds near vacancies are analyzed based on the results of cluster Xα DV calculations.
- electronic properties
- Interstitial alloys