We found a match
Your institution may have rights to this item. Sign in to continue.
- Title
Computational Study of the Structural, Mechanical, Electronic, Half-Metallic, and Magnetic Properties of CoCrYZ (Z = In, Sn, Tl, and Pb) Quaternary Heusler Alloys.
- Authors
Yu, Q.; Huang, H. M.; Wang, H. J.; Xue, S. T.; Yang, J. T.; Xu, C. J.; Tong, R.; Luo, S. J.
- Abstract
The structural, electronic, half-metallic (HM), and elastic properties of the new quaternary Heusler (QH) CoCrYZ (Z = In, Sn, Tl, and Pb) were investigated using density functional theory (DFT). It is found that these materials have 100% spin polarization (SP) and satisfy the Slater-Pauling rule. The magnetic moments of the alloys CoCrYIn and CoCrYTl are 3.00 μB, and the magnetic moments of the materials CoCrYSn and CoCrYPb are 4.00 μB. The calculated Cauchy pressure (Cp), Pugh ratio (B/G), Poisson's ratio (v) indicate that the alloys CoCrYIn and CoCrYTl are brittle materials, while CoCrYSn and CoCrYPb are elastic ductile materials, and the anisotropy coefficient (A) indicate that the four alloys are anisotropic. The CoCrYZ (Z = In, Sn, Tl, and Pb) alloys exhibit mechanically stable and the phonon curve patterns indicate dynamic stability. The tetragonal deformation test shows that the cubic phases of the four alloys are their ground state. The total magnetic moments of the four alloys remain constant when stress is applied, indicating their more robust HM properties. These QH alloys were calculated theoretically and the results obtained, such as 100% SP, mechanical properties, thermodynamic properties, and stability of the half-metallicity, make this Heusler alloy a potential candidate material for spintronic and thermoelectric devices.
- Subjects
CHROMIUM-cobalt-nickel-molybdenum alloys; HEUSLER alloys; MAGNETIC properties; MAGNETIC alloys; TIN; BRITTLE materials; POISSON'S ratio
- Publication
Journal of Superconductivity & Novel Magnetism, 2022, Vol 35, Issue 10, p2837
- ISSN
1557-1939
- Publication type
Article
- DOI
10.1007/s10948-022-06315-4