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The Structural, Electronic and Dynamic Properties of the L1(2)-type Co3Ti Alloy
(AMER INST PHYSICS, 2014)
The structural, electronic and dynamic properties of the cubic Co3Ti alloy in L1(2) structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed ...
The investigation of electronic, magnetic, mechanical, and lattice dynamical properties of PdMX (M = Cr, Fe and X = Si and Ge) ferromagnetic half-Heusler metallics: an ab initio study
(IOP PUBLISHING LTD, 2017)
PdMX (M = Cr, Fe and X = Si, Ge) half-Heusler alloys, have been investigated in cubic C1(b) crystal structure which conforms to F (4) over bar 3m space group by using local spin density approximation (LSDA) within the ...
Electronic, mechanical and lattice dynamical properties of YXB4 (X = Cr, Mn, Fe, and Co) compounds
(Institute of Physics Publishing, 2019)
In this study, the physical such as structural, electronic, anisotropic elastic and lattice dynamic properties of YXB4 (X = Cr, Mn, Fe and Co) compounds have been investigated. The electronic properties including band ...
Computational investigations of mechanic, electronic and lattice dynamic properties of yttrium based compounds
(WORLD SCIENTIFIC PUBL CO PTE LTD, 2018)
Electronic, mechanic and lattice dynamic properties of yttrium-based compounds, X3Y, where X = Pd, Pt and Rh were investigated using the density functional theory. The electronic band calculations demonstrated that X3Y ...
Investigations of structural, elastic, electronic, vibrational and thermodynamic properties of RhMnX (X = Sb and Sn)
(Institute of Physics Publishing, 2019)
This study employs first principles method to run an investigation on structural, electronic, elastic, vibrational, thermodynamic and magnetic properties of RhMnX (X = Sb and Sn) half-Heusler compounds in C1b phase. The ...
An ab initio study on the investigation of structural, electronic, mechanical and lattice dynamical properties of the M(2)AX type MAX phases Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds
(IOP PUBLISHING LTD, 2017)
The hypothetical Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds are M(2)AX type MAX phases referred to as #211 and have hexagonal crystal structure which conforms to P6(3)/mmc space group. These compounds have ...
First principles study on the structural, electronic, mechanical and lattice dynamical properties of XRhSb (X = Ti and Zr) paramagnet half-Heusler antimonides
(IOP PUBLISHING LTD, 2019)
The half-Heusler TiRhSb and ZrRhSb alloys in the formation of face-centered cubic MgAgAs-type structure, which conforms to the F (4) over bar 3m space group with 216 as the space number, have been investigated using ...
