Ab initio predictions of stability, half-metallicity and magnetism in Co2NbAl and Co2ZrAl full-Heusler alloys

Vacuum ◽  
2021 ◽  
pp. 110418
Author(s):  
Yutong Li ◽  
Jingchuan Zhu ◽  
Ramesh Paudel ◽  
Jingtao Huang ◽  
Fei Zhou
Keyword(s):  
Ab Initio ◽  
Heusler Alloys ◽  
Half Metallicity ◽  
Full Heusler ◽  
Full Heusler Alloys

Ab Initio Calculations of New Full Heusler Alloys Rh2ZrX (X = Al, Ga, In, Si, Ge, Sn)

2019 ◽  
Vol 32 (8) ◽  
pp. 2479-2488 ◽  
Author(s):  
Ahmad Asadi Mohammad Abadi ◽  
Ghasem Forozani ◽  
Seyyed Mahdy Baizaee ◽  
Abdolrasoul Gharaati
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Heusler Alloys ◽  
Full Heusler ◽  
Full Heusler Alloys

Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti2Fe1−x Co x Sn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

2020 ◽  
Vol 32 (32) ◽  
pp. 325001
Author(s):  
Iltaf Muhammad ◽  
Jian-Min Zhang ◽  
Anwar Ali ◽  
Muhammad Mushtaq ◽  
Suleman Muhammad
Keyword(s):  
Thin Films ◽  
Heusler Alloys ◽  
Half Metallicity ◽  
Full Heusler ◽  
Full Heusler Alloys ◽  
Co Doped

Electronic, elastic and X-ray spectroscopic properties of direct and inverse full Heusler compounds Co2FeAl and Fe2CoAl, promising materials for spintronic applications: a DFT+U approach

2018 ◽  
Vol 6 (38) ◽  
pp. 10341-10349 ◽  
Author(s):  
Lalrinkima Siakeng ◽  
Gennady M. Mikhailov ◽  
D. P. Rai
Keyword(s):  
Heusler Alloys ◽  
Spectroscopic Properties ◽  
Heusler Compounds ◽  
Half Metallicity ◽  
X Ray ◽  
Magnetic Damping ◽  
Full Heusler ◽  
Full Heusler Alloys ◽  
Curie Temperatures

Half-metallicity, low magnetic damping and high Curie temperatures (TC) are crucial for application in spintronics and full Heusler alloys are promising in this regard.

scholarly journals Fundamental Aspects of Magnetic Shape Memory Alloys: Insights from Ab Initio and Monte Carlo Studies

2009 ◽  
Vol 635 ◽  
pp. 3-12 ◽  
Author(s):  
Peter Entel ◽  
Markus E. Gruner ◽  
Antje Dannenberg ◽  
Mario Siewert ◽  
Sanjeev K. Nayak ◽  
...  
Keyword(s):  
Ab Initio ◽  
Structural Phase ◽  
Heusler Alloys ◽  
Magnetic Shape Memory ◽  
Magnetic Shape Memory Alloys ◽  
Half Metals ◽  
Monte Carlo Studies ◽  
High Spin Polarization ◽  
Full Heusler ◽  
Full Heusler Alloys

Ferromagnetic Heusler alloys like Ni-Mn-Z (Z = Al, Ga, In, Sn, Sb), which undergo a martensitic phase transformation, are on the edge of being used in technological applications involving actuator and magnetocaloric devices. The other class of ferromagnetic full Heusler alloys like Co-Mn-Z (Z = Al, Si, Ga, Ge, Sn) not undergoing a structural phase transition, are half-metals (in contrast to the Ni-based systems) with high spin polarization at the Fermi level and are of potential importance for future spintronics devices. On the basis of recent ab initio calculations, we highlight the main differences between the two classes of Heusler based materials.

scholarly journals Effect of doping and disorder on the half metallicity of full Heusler alloys

2006 ◽  
Vol 89 (4) ◽  
pp. 042502 ◽  
Author(s):  
I. Galanakis ◽  
K. Özdoğan ◽  
B. Aktaş ◽  
E. Şaşıoğlu
Keyword(s):  
Heusler Alloys ◽  
Half Metallicity ◽  
Full Heusler ◽  
Full Heusler Alloys ◽  
Effect Of Doping

STRUCTURE AND MAGNETIC PROPERTIES IN RUTHENIUM-BASED FULL-HEUSLER ALLOYS: AB INITIO CALCULATIONS

2013 ◽  
Vol 27 (30) ◽  
pp. 1350219 ◽  
Author(s):  
S. BAHLOULI ◽  
Z. AARIZOU ◽  
M. ELCHIKH
Keyword(s):  
Magnetic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Nearest Neighbor ◽  
Heusler Alloys ◽  
Full Potential ◽  
Type I ◽  
Type Ii ◽  
Full Heusler ◽  
Full Heusler Alloys

In this paper, we present ab initio calculations within density functional theory (DFT) to investigate structure, electronic and magnetic properties of Ru 2 CrZ ( Z = Si , Ge and Sn ) full-Heusler alloys. We have used the developed full-potential linearized muffin tin orbitals (FP-LMTO) based on the local spin density approximation (LSDA) with the PLane Wave expansion (PLW). In particular, we found that these Ruthenium-based Heusler alloys have the antiferromagnetic (AFM) type II as ground state. Then, we studied and discussed the magnetic properties belonging to our different magnetic structures: AFM type II, AFM type I and ferromagnetic (FM) phase. We also found that Ru 2 CrSi and Ru 2 CrGe exhibit a semiconducting behavior whereas Ru 2 CrSn has a semimetallic-like behavior as it is experimentally found. We made an estimation of Néel temperatures (T N ) in the framework of the mean-field theory and used the energy differences approach to deduce the relevant short-range nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions. The calculated T N are somewhat overestimated to the available experimental ones.

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