Ab-initio calculations and CALPHAD description of Cr–Ge–Mn and Cr–Ge–Si
Source abstract
Abstract
Abstract First-principles calculations and CALPHAD method are combined to obtain a thermodynamic description of the Cr–Ge–Mn and Cr–Ge–Si systems. Especially mixing enthalpy in substituting solid solutions (Cr/Mn or Ge/Si) is calculated at 0 K using the Density Functional Theory. These data are then used together with available literature data to obtain a description of the ternary systems.
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Research context
OpenAlex topics: Intermetallics and Advanced Alloy Properties · Semiconductor materials and interfaces · Metallurgical and Alloy Processes
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References (27)
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