Finite temperature, magnetic,and many-body effects in Ab initio simulations of alloy thermodynamics
Ab initio electronic structure theory is known as a useful tool for prediction of materials properties. However, majority of simulations still deal with calculations in the framework of density functional theory with local or semi-local functionals carried out at zero temperature. We present new met...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Conference Paper |
| Published: |
2013
|
| Online Access: | http://hdl.handle.net/20.500.11937/34427 |