Investigation of Structural, Electronic, and Dynamic Properties of Half‐Heusler Alloys XCuB (X = Ti, Zr) by First Principles Calculations
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DOI: 10.1002/crat.202000116
Abstract: In order to find out the structural, electronic, and dynamic properties of TiCuB and ZrCuB half‐Heusler alloys, density functional theory within the generalized gradient approximation is used by Quantum Espresso package program. The lattice parameters,… read more here.
Keywords: dynamic properties; heusler alloys; electronic dynamic; structural electronic ... See more keywords