Effect of L21 and XA ordering on structural, martensitic, electronic, magnetic, elastic, thermal and thermoelectric properties of Co2FeGe Heusler alloys
Based on density functional theory (DFT), the structural, martensitic transition, band
structure, density of states, elastic, magnetic, and thermoelectric properties of L2 1 and XA …
structure, density of states, elastic, magnetic, and thermoelectric properties of L2 1 and XA …
Stability, magnetic, electronic, elastic, thermodynamic, optical, and thermoelectric properties of Co2TiSn, Co2ZrSn and Co2HfSn Heusler alloys from calculations …
Abstract Structural, magnetic, electronic, elastic, thermodynamic, optical, and thermoelectric
properties of full-Heusler alloys Co2YSn (Y= Ti; Zr; Hf) were determined using density …
properties of full-Heusler alloys Co2YSn (Y= Ti; Zr; Hf) were determined using density …
Half-metalicity, mechanical, optical, thermodynamic, and thermoelectric properties of full Heusler alloys Co2TiZ (Z = Si; Ge; Sn)
Abstract We have predicted Co2TiZ (Z= Si; Ge and Sn) full Heusler alloys are being a half-
metallic ferromagnet by the first-principle calculations using FPLAPW based on DFT. The …
metallic ferromagnet by the first-principle calculations using FPLAPW based on DFT. The …
Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + …
The structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of
the Heusler Co2Fe1− xTixGa are investigated using the full potential linearized augmented …
the Heusler Co2Fe1− xTixGa are investigated using the full potential linearized augmented …
Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations
In this study, we have investigated the structural, electronic, magnetic, elastic, thermoelectric,
and thermal properties of Co2FeGa1− xSix with 0≤ x≤ 1 through the first-principles density …
and thermal properties of Co2FeGa1− xSix with 0≤ x≤ 1 through the first-principles density …
Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U …
Both L21 and XA type phases ordering of Ti2FeGe compound were investigated based on
density functional theory. The structural, magnetic, band structure, density of states …
density functional theory. The structural, magnetic, band structure, density of states …
Study of new double perovskite halides Rb2Ti (Cl/Br) 6 for solar cells and thermoelectric applications
The electronic, optical, and thermoelectric properties of Rb 2 TiCl 6 and Rb 2 TiBr 6 are
analyzed by density functional theory (DFT). The tolerance factor and phonon dispersion are …
analyzed by density functional theory (DFT). The tolerance factor and phonon dispersion are …
Thermodynamic, electronic, magnetic, thermoelectric, and optical properties of full Heuslers compounds Co2TiAl(Ga, In): A First principles study
In this study, we investigated the thermodynamic, band structure, density of states, magnetic,
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …
Electronic, elastic and thermodynamic properties of LaMgRe4 (Re= Co, Ni, Cu): A first-principles study
M Yang, F Wang, W Wang, B Li, Y An - Vacuum, 2022 - Elsevier
The magnesium-based alloys are excellent hydrogen storage materials due to outstanding
physical and chemical properties. In recent years, ternary magnesium-based alloys have …
physical and chemical properties. In recent years, ternary magnesium-based alloys have …
Study of optical, magnetic, electronic, thermodynamic and mechanical properties of effect of substitution Co on Ti site on half metallicity of XA type ordering of Ti2 …
Abstract Both Ti2FeGe and CoTiFeGe compounds were designed based on density
functional theory within GGA and mBJ-GGA approximations. Lattice parameter optimization …
functional theory within GGA and mBJ-GGA approximations. Lattice parameter optimization …