Ab initio investigation of Co/TaC interfaces
Co(0001)/TaC(01) interfaces with Re impurities are investigated using the plane-wave pseudopotential method within density functional theory. Two interface configurations and several interfacial sites for Re impurities are considered. The calculations reveal that Re doping can lead to more favourabl...
| Published in: | Journal of alloys and compounds Vol. 853. P. 156944 (1-9) |
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| Other Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000902100 Перейти в каталог НБ ТГУ |