Spin-Polarized Calculations of Magnetic and Thermodynamic Properties of the Full-Heusler $$\mathrm{{Co}}_{2}$$ Co 2 MnZ (Z = Al, Ga)

Mebsout, R.; Amari, S.; Méçabih, S.; Abbar, B.; Bouhafs, B.

doi:10.1007/s10765-013-1435-x

Cited by 12 publications

(6 citation statements)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The majority-spin bands are strongly metallic, while the minority-spin bands are semiconductor-like around the Fermi level. This gap has previously been reported by other authors, and is formed as a result of the strong 3d-3d hybridization between the two transition-metal atoms [42][43][44][45]. It is thought that this 3d-3d interaction is essential for the formation of the gap at the Fermi level.…”

Section: Discussionsupporting

confidence: 78%

First-Principles Forecast of Gapless Half-Metallic and Spin-Gapless Semiconducting Materials: Case Study of Inverse Ti2CoSi-Based Compounds

Zhang

Dong

et al. 2020

Applied Sciences

View full text Add to dashboard Cite

First-principles calculations were used to investigate several inverse Ti2CoSi-based compounds. Our results indicate that Ti2CoSi could transform from a spin-gapless semiconductor to a half metal if a quarter of the Co atoms are replaced by Ti. Ti2.25Co0.75Si would keep stable half-metallic properties in a large range of lattice parameter under the effect of hydrostatic strain, and would become a gapless half metal under the effect of tetragonal distortion. Furthermore, we substituted B, Al, Ga, P, As, and Sb for Si in the Ti2.25Co0.75Si compound. Our results demonstrate that Ti2.25Co0.75Si0.5B0.5, Ti2.25Co0.75Si0.5Al0.5, and Ti2.25Co0.75Si0.5Ga0.5 are half-metallic ferromagnetic materials, and Ti2.25Co0.75Si0.5P0.5, Ti2.25Co0.75Si0.5As0.5, and Ti2.25Co0.75Si0.5Sb0.5 are spin-gapless semiconducting materials. The introduced impurity atoms may adjust the valence electron configuration, change the charge concentration, and shift the location of the Fermi level.

show abstract

Section: Discussionsupporting

confidence: 78%

First-Principles Forecast of Gapless Half-Metallic and Spin-Gapless Semiconducting Materials: Case Study of Inverse Ti2CoSi-Based Compounds

Zhang

Dong

et al. 2020

Applied Sciences

View full text Add to dashboard Cite

show abstract

“…Co 2 MnGa has four atoms with atomic positions (0.25, 0.25, 0.25) and (0.75, 0.75, 0.75) for Co, (0.5, 0.5, 0.5) for Mn, and (0, 0, 0) for Ga. This compound is found to be a ferromagnetic compound with total moment magnetization M t (M t = 4.10 µB), which has a good consistency with another experimental work (M t = 4.05 µB) [6] and other theoretical works [8,9]. The value of M t in our calculations under 5 GPa has risen Volume, (arb.…”

Section: Structural Propertiessupporting

confidence: 85%

“…This compound in a very small region in minority spin has a pseudo gap in about 0.25 eV which has a good agreement with other theoretical works (0.32 eV [24] and a pseudo gap [8]). This gap is formed due to strong 3d−3d hybridization between the Co and Mn atoms [9]. So we can conclude that Co 2 MnGa does not show traditional half-metal behavior.…”

Section: Electronic Propertiesmentioning

confidence: 80%

“…Full-Heusler alloys have chemical formula X 2 Y Z, where X and Y are mostly transition metals and Z is one of the members of groups III−V in periodic table. Structural, electronic, phonon, and magnetic properties of full-Heusler Co-based compounds were investigated by researchers [6][7][8][9][10][11][12][13]. These compounds are promising as good candidates for highefficiency tunnel magneto-resistance devices [14,15] in spintronic industry.…”

Section: Introductionmentioning

confidence: 99%

“…They found Curie temperature of Co 2 MnGa is 700 K. In theoretical studies, Candan et al [8] investigated structural, electronic, phonon, and magnetic properties of this compound under 0 GPa. Mebsout et al [9] calculated thermodynamic properties of this alloy until 18 GPa by code GIBBS [16] and quasi-harmonic Debye model. Ram and his co-workers [17] analyzed structural, magnetic, and electronic properties of Co 2 MnGa under various pressures.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Investigation on Structural, Electronic, Thermal, and Thermoelectric Properties of Co-=SUB=-2-=/SUB=-MnGa under Pressure Based on Density Functional Theory

Mousavi

Akbari

2022

Physics of the Solid State

View full text Add to dashboard Cite

Structural, electronic, thermal, and thermoelectric properties of Co2MnGa under 0, 5, 10, and 15 GPa pressures have been investigated. In electronic properties, in minority spin, a pseudo band gap (about 0.25 eV) is visible. Thermal properties in the range of 0 to 700 K have been calculated. Our results in thermal properties have a good agreement with another theoretical work. Calculations of thermoelectric properties, in both spin up and down, in the range of 100 to 700 K have been done. In spin up, an abnormal behavior is observed under 5 GPa for electrical conductivity. This is due to increase in Mt at this pressure. The sign and value of Seebeck coefficient in spin up at 300 K has a good consistency with experimental work. Other thermoelectric properties such as: power factor, electronic thermal conductivity divided by relaxation time, electronic contribution of heat capacity at constant volume under pressure have been studied. Keywords: Co2MnGa, density functional theory, electronic properties under pressure, thermoelectric properties under pressure.

show abstract

Thermal Functions of Diatomic Molecules Using Hulthén Plus Screened Kratzer Potential

Ghanbari

Jadbaba

2023

J Low Temp Phys

View full text Add to dashboard Cite

Spin-Polarized Calculations of Magnetic and Thermodynamic Properties of the Full-Heusler $$\mathrm{{Co}}_{2}$$ Co 2 MnZ (Z = Al, Ga)

Cited by 12 publications

References 29 publications

First-Principles Forecast of Gapless Half-Metallic and Spin-Gapless Semiconducting Materials: Case Study of Inverse Ti2CoSi-Based Compounds

First-Principles Forecast of Gapless Half-Metallic and Spin-Gapless Semiconducting Materials: Case Study of Inverse Ti2CoSi-Based Compounds

Investigation on Structural, Electronic, Thermal, and Thermoelectric Properties of Co-=SUB=-2-=/SUB=-MnGa under Pressure Based on Density Functional Theory

Thermal Functions of Diatomic Molecules Using Hulthén Plus Screened Kratzer Potential

Contact Info

Product

Resources

About