Platinum nitride with fluorite structure
The mechanical stability of platinum nitride has been studied using first-principles calculations. By calculating the single-crystal elastic constants, we show that platinum nitride can be stabilized in the fluorite structure, in which the nitrogen atoms occupy all the tetrahedral interstitial sites of the metal lattice. The stability is attributed to the pseudogap effect from analysis of the electronic structure.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director. Office of Science. Office of Basic EnergySciences. Materials Sciences Division
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 860964
- Report Number(s):
- LBNL-56358; APPLAB; R&D Project: 512301; BnR: KC0201030; TRN: US200601%%552
- Journal Information:
- Applied Physics Letters, Vol. 86, Issue 12; Related Information: Journal Publication Date: 03/21/2005; ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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