Investigation of Structural, Electronic, and Dynamic Properties of Half‐Heusler Alloys XCuB (X = Ti, Zr) by First Principles Calculations
Sign Up to like & getrecommendations! Published in 2020 at "Crystal Research and Technology"
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
Structural, Elastic, Electronic, Dynamic, and Thermal Properties of SrAl2O4 with an Orthorhombic Structure Under Pressure
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DOI: 10.3390/molecules29215192
Abstract: Its outstanding mechanical and thermodynamic characteristics make SrAl2O4 a highly desirable ceramic material for high-temperature applications. However, the effects of elevated pressure on the structural and other properties of SrAl2O4 are still poorly understood. This… read more here.
Keywords: elastic electronic; pressure; properties sral2o4; dynamic thermal ... See more keywords