Electronic structure studies of the oxyphosphate Cu0.5TiOPO4

Electronic structure studies of the oxyphosphate Cu0.5TiOPO4

The electronic structure and magnetic properties of Cu0.5TiOPO4 have been calculated using density functional theory (DFT) employing generalized gradient approximation (GGA). The result of calculation shows that the antiferromagnetic state is more stable than the ferromagnetic and the partial dens...

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Bibliographic Details
Main Authors: A. Harbi, Y. Aharbil, N. Kdider, H. Labrim, A. Benyoussef, M. Jahid, S. Louihi, M. Moutaabbid, S. Belaaouad, S. Benmokhtar
Format: Article
Language:English
Published: Faculté Polydisciplinaire de Khouribga 2017-08-01
Series:Journal of Applied Surfaces and Interfaces
Subjects:
self‐consistent (DFT)
Cu0.5TiOPO4
Density of states
Magnetic property
magnetic impurity
Online Access:https://revues.imist.ma/index.php?journal=jasi&page=article&op=view&path%5B%5D=8968&path%5B%5D=5500

Internet

https://revues.imist.ma/index.php?journal=jasi&page=article&op=view&path%5B%5D=8968&path%5B%5D=5500

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