Siberian Federal University 
- Issue
- Journal of Siberian Federal University. Mathematics & Physics. 2018 11 (6)
- Authors
- Bondarenko, Svetlana A.; Sorokin, Boris P.; Sorokin, Pavel B.
- Contact information
- Bondarenko, Svetlana A.: Technological Institute for Superhard and Novel Carbon Materials Tsentral’naya, 7a, Troitsk, Moscow, 142190 Moscow Institute of Physics and Technology Institutskiy per., 9, Dolgoprudny, Moscow Region, 141701 Russia; ; Sorokin, Boris P.: Technological Institute for Superhard and Novel Carbon Materials 7a Central’naya str., Moscow, Troitsk, 108840 Russia; ; Sorokin, Pavel B.: Technological Institute for Superhard and Novel Carbon Materials Tsentral’naya, 7a, Troitsk, Moscow, 142190 Russia
- Keywords
- solid solution; phase transformation; ab initio DFT approach.; DFT
- Abstract
The features of atomic structure of Al₁₋ ₓScₓNin the whole Sc concentration were studied using ab initio DFT approach. The possible segregation of AlN and ScN phases in a solid solution was investigated and results were compared with available reference data. Close agreement between theoretical models and experimental structures of phases investigated has been pointed out
- Pages
- 665–669
- Paper at repository of SibFU
- https://elib.sfu-kras.ru/handle/2311/108415
Journal of Siberian Federal University. Mathematics & Physics / Theoretical Study of Atomic Structure of Solid Solution Al₁₋ ₓScₓNin
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