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RESEARCH PRODUCT
Density functional theory description of random Cu-Au alloys
Mikael KuismaÁGnes NagyLi-yun TianLevente VitosLevente VitosKalevi KokkoH. Levamakisubject
Materials scienceta114tiheysfunktionaaliteoriaAlloyThermodynamics02 engineering and technologyengineering.materialelectronic structure021001 nanoscience & nanotechnology01 natural sciencesCore (optical fiber)Condensed Matter::Materials Sciencealloysfirst-principles calculations0103 physical sciencesengineeringDensity functional theorymetalliseokset010306 general physics0210 nano-technologyta116density functional theorydescription
Density functional alloy theory is used to accurately describe the three core effects controlling the thermodynamics of random Cu-Au alloys. These three core effects are exchange correlation (XC), ...
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-02-19 | Physical Review B |