"Hybrid-functional calculations of electronic structure and phase stability of MO (M = Zn, Cd, Be, Mg, Ca, Sr, Ba) and related ternary alloy MxZn1−xO"

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Hybrid-functional calculations of electronic structure and phase stability of MO (M = Zn, Cd, Be, Mg, Ca, Sr, Ba) and related ternary alloy MxZn1−xO

MxZn1−xO ternary alloy formations were explored through the application of the SQS method and hybrid density functional calculations. Click to show full abstract

MxZn1−xO ternary alloy formations were explored through the application of the SQS method and hybrid density functional calculations.

Keywords: hybrid functional; functional calculations; mxzn1; calculations electronic; ternary alloy

Journal Title: RSC Advances
Year Published: 2019

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