scholarly journals Half-metallicity of the (001), (111) and (110) surfaces of CoRuMnSi and interface half-metallicity of CoRuMnSi/CdS

RSC Advances ◽  
2018 ◽  
Vol 8 (45) ◽  
pp. 25653-25663 ◽  
Author(s):  
Jabbar M. Khalaf Al-zyadi ◽  
Ammar A. Kadhim ◽  
Kai-Lun Yao
Keyword(s):  
Heusler Alloy ◽  
Half Metallicity ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Recent studies have indicated that the quaternary Heusler alloy CoRuMnSi shows a half-metallic ferromagnetism (Kundu et al., Sci. Rep., 7, (2017), 1803).

scholarly journals Pressure dependent half-metallic ferromagnetism in inverse Heusler alloy Fe2CoAl: a DFT+U calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44633-44640
Author(s):  
D. P. Rai ◽  
Lalrinkima ◽  
Lalhriatzuala ◽  
L. A. Fomin ◽  
I. V. Malikov ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Curie Temperature ◽  
First Principles ◽  
Heusler Alloy ◽  
Computational Method ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Full Heusler ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

We report the electronic and magnetic properties along with the Curie temperature (TC) of the inverse full Heusler alloy (HA) Fe2CoAl obtained using the first-principles computational method.

scholarly journals Anomalous transport properties of the half-metallic ferromagnets Co 2 TiSi, Co 2 TiGe and Co 2 TiSn

2011 ◽  
Vol 369 (1951) ◽  
pp. 3588-3601 ◽  
Author(s):  
Joachim Barth ◽  
Gerhard H. Fecher ◽  
Benjamin Balke ◽  
Tanja Graf ◽  
Andrey Shkabko ◽  
...  
Keyword(s):  
Low Temperatures ◽  
Room Temperature ◽  
Magnetic Moments ◽  
Experimental Investigations ◽  
Half Metallicity ◽  
Half Metallic ◽  
Seebeck Coefficients ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism ◽  
Curie Temperatures

In this work, the theoretical and experimental investigations of Co 2 Ti Z ( Z =Si, Ge or Sn) compounds are reported. Half-metallic ferromagnetism is predicted for all three compounds with only two bands crossing the Fermi energy in the majority channel. The magnetic moments fulfil the Slater–Pauling rule and the Curie temperatures are well above room temperature. All compounds show a metallic-like resistivity for low temperatures up to their Curie temperature, above the resistivity changes to semiconducting-like behaviour. A large negative magnetoresistance (MR) of 55 per cent is observed for Co 2 TiSn at room temperature in an applied magnetic field of μ 0 H =4 T , which is comparable to the large negative MRs of the manganites. The Seebeck coefficients are negative for all three compounds and reach their maximum values at their respective Curie temperatures and stay almost constant up to 950 K. The highest value achieved is −52 μVK −1 for Co 2 TiSn, which is large for a metal. The combination of half-metallicity and the constant large Seebeck coefficient over a wide temperature range makes these compounds interesting materials for thermoelectric applications and further spincaloric investigations.

scholarly journals Effect of substituting sp-element on half metallic ferromagnetism in NiCrSi Heusler alloy

2012 ◽  
Vol 53 (1) ◽  
pp. 431-435 ◽  
Author(s):  
Mukhtiyar Singh ◽  
Hardev S. Saini ◽  
Sarvesh Kumar ◽  
Manish K. Kashyap
Keyword(s):  
Heusler Alloy ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Half-metallic ferromagnetism in hypothetical wurtzite structure chromium chalcogenides

2004 ◽  
Vol 19 (9) ◽  
pp. 2738-2741 ◽  
Author(s):  
Ming Zhang ◽  
Ekkes Brück ◽  
Frank R. de Boer ◽  
Guodong Liu ◽  
Haining Hu ◽  
...  
Keyword(s):  
Density Functional ◽  
Wurtzite Structure ◽  
First Principle ◽  
Half Metallicity ◽  
Functional Theory ◽  
Half Metallic ◽  
Principle Calculation ◽  
First Principle Calculation ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

The hypothetical wurtzite structure chromium chalcogenides were investigated through first-principle calculation within density-functional theory. All compounds are predicted to be true half-metallic ferromagnets with an integer Bohr magneton of 4 μB per unit. Their half-metallic gaps are 1.147, 0.885, and 0.247 eV at their equilibrium volumes for wurtzite-type CrM (M = S, Se, and Te), respectively. The half-metallicity can be maintained even when volumes are expanded by more than 20% for all compounds and compressed by more than 20%, 20%, and 5%, for CrS, CrSe, and CrTe, respectively.

Effect of disorders on half-metallic ferromagnetism in Cr2CoAl inverse Heusler alloy

2019 ◽  
Author(s):  
Anushka Nagpal ◽  
Bhuvan Agrawal ◽  
Ramesh Kumar ◽  
Hardev S. Saini ◽  
Manish K. Kashyap ◽  
...  
Keyword(s):  
Heusler Alloy ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

scholarly journals High-Pressure-Induced Transition from Ferromagnetic Semiconductor to Spin Gapless Semiconductor in Quaternary Heusler Alloy VFeScZ (Z = Sb, As, P)

2019 ◽  
Vol 9 (14) ◽  
pp. 2859 ◽  
Author(s):  
Haishen Huang ◽  
Kun Yang ◽  
Wan Zhao ◽  
Tingyan Zhou ◽  
Xiude Yang ◽  
...  
Keyword(s):  
Heusler Alloy ◽  
Density Functional ◽  
External Pressure ◽  
Ferromagnetic Semiconductors ◽  
Generalized Gradient ◽  
Functional Theory ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism ◽  
Pressure Phase

In this paper, the structure and the electronic and magnetic properties of VFeScZ (Z = Sb, As, P) series alloys are systematically studied based on the Perdew–Burke–Ernzerhof (PBE) generalized gradient approximation (GGA) calculation within the first-principles density functional theory. The results showed that VFeScSb and VFeScP are ferromagnetic semiconductors and VFeScAs exhibits half-metallic ferromagnetism under zero pressure. As the pressure increases, the narrow indirect gap of VFeScZ (Z = Sb, As, P) alloy gradually decreases, and gets close to zero, leading to spin gapless semiconductor (SGS) transition. The pressure phase transition point of VFeScSb, VFeScAs, and VFeScP alloy is 132 GPa, 58 GPa, and 32 GPa, respectively. As a result, the pressure effect provides an opportunity to tune the electronic properties of the alloys by external pressure. The present findings provide a technical method for us to actually use the Heusler alloy SGS.

Half-metallic ferromagnetism in Wurtzite MS (M = Li, Na, and K)

2012 ◽  
Vol 90 (6) ◽  
pp. 531-536 ◽  
Author(s):  
M. Moradi ◽  
M. Rostami ◽  
M. Afshari
Keyword(s):  
Density Functional ◽  
Wurtzite Structure ◽  
First Principle ◽  
Half Metallicity ◽  
Functional Theory ◽  
Half Metallic ◽  
First Principle Calculations ◽  
Consistent Method ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

The magnetic properties of MS (M = Li, Na, K) compounds in a Wurtzite structure at zero pressure are investigated by using first principle calculations and the pseudopotential self-consistent method based on density functional theory. It is shown that MS compounds in Wurtzite structure are half-metallic ferromagnets with a magnetic moment of μB per formula unit and half-metallic gaps of 0.24, 0.52, and 0.62 eV for LiS, NaS, and KS, respectively. We also consider the effect of pressure on the half-metallicity of these compounds and we find that LiS, NaS, and KS in Wurtzite structure maintain their half-metallicity up to lattice compressions of 9%, 37%, and 60%, respectively, and as a result one can grow them over the semiconductors in Wurtzite structures that are produced experimentally. These properties cause Wurtzite MS compounds to be appropriate choices to create useful devices in spintronics.

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