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First principles study on new half-metallic ferromagnetic ternary zinc-based sulfide and telluride (Zn3VS4 and Zn3VTe4)
(Institute of Physics Publishing, 2019)
In this resear, we have investigated electronic and magnetic behavior and also some mechanical properties of ternary zinc-based chalcogenides Zn3VCh4 (Ch =S and Te) conform to space group with 215 space number, which have ...
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 ...
