Thesis
Development of magnetic bond-order potentials for Mn and Fe-Mn
- Abstract:
-
While group VII 4d Tc and 5d Re have hexagonally close-packed (hcp) ground states, 3d Mn adopts the complex chi-phase which exhibits non-collinear magnetism. Density functional theory (DFT) calculations have shown that without magnetism the chi-phase remains the ground state of Mn implying that magnetism is not the critical factor, as is commonly believed, in driving the anomalous stability of the chi-phase over hcp. Using a tight-binding (TB) model it is found t...
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Authors
Contributors
+ Pettifor, D
Division:
MPLS
Department:
Materials
Role:
Supervisor
+ Drautz, R
Division:
MPLS
Department:
Materials
Role:
Supervisor
Funding
+ EPSRC-Engineering Physical Science Research Council
More from this funder
Funding agency for:
Drain, J
Grant:
Unknown
Bibliographic Details
- Publication date:
- 2013
- Type of award:
- DPhil
- Level of award:
- Doctoral
- Awarding institution:
- University of Oxford
Item Description
- Language:
- English
- Keywords:
- Subjects:
- UUID:
-
uuid:68a01493-4a20-4d78-ad4a-6c3c2fe072d6
- Local pid:
- ora:9515
- Deposit date:
- 2014-12-04
Terms of use
- Copyright holder:
- Drain, J
- Copyright date:
- 2013
- Notes:
- This thesis is not currently available in ORA.
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