We have carried out a first-principles total-energy calculations of the structural and the electronic properties for the series of H-phases compounds Ti 2 AlC and Ti 2 AlN. We have applied the full-potential linearized augmented plane waves (FP-LAPW) method based on the density functional theory (DF
โฆ LIBER โฆ
Theoretical studies of underlayer chemisorption: II. Electronic structure of Ti6X (X = C, O, F), Ti9 and Ti9N clusters
โ Scribed by Kazumasa Shinjo; Satoru Sugano
- Publisher
- Elsevier Science
- Year
- 1983
- Weight
- 54 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0167-2584
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