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Density functional theory description of random Cu-Au alloys

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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), ... Click to show full abstract

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), ...

Keywords: random alloys; density functional; description random; theory description; functional theory

Journal Title: Physical Review B
Year Published: 2019

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