Electronic and Magnetic Investigations on Fe{sub 2}NiTe Alloy with High Curie Temperature

Journal Article · Sat Sep 15 00:00:00 EDT 2018 · Journal of Superconductivity and Novel Magnetism

DOI:https://doi.org/10.1007/S10948-017-4556-9· OSTI ID:22773802

Wei, Xiao-Ping; Sun, Xiao-Wei; Song, Ting; Tian, Jun-Hong; Guo, Peng ^[1]

---

1. Lanzhou Jiaotong University, The School of Mathematics and Physics (China)

Full-potential local-orbital minimum-basis and spin-polarized relativistic Korringa-Kohn-Rostoker along with Monte Carlo simulations are applied to study the electronic and magnetic properties of Fe{sub 2}NiTe with Hg{sub 2}CuTi structure. The analysis of orbital population shows the electrons of 4s, 3d, 4d, and 4p from transition metal and 5s, 5d, and 5p from Te atom participating in bonding. It is demonstrated by the density of states of d-d and p-d hybridizations. Calculations show the magnetic moment is carried mainly by Fe atoms. Accordingly, the exchanges of Fe constituents play a leading role in interactions. By using the calculated Heisenberg exchange coupling parameters, the Curie temperature is estimated to be 761.38 K within mean-field approximation. In order to obtain more accurate value of the Curie temperature, Monte Carlo method is adopted to model the normalized magnetization as functions of the temperature, the obtained 507.93 K value is noticeably higher than the room temperature, which is favorable in realistic spintronics application. Finally, the magnetic moments, exchange interactions, and Curie temperatures in the range of 5.4 to 6.5 Å are calculated; the results implies the Curie temperatures are still above room temperature between given lattice intervals.

• OSTI ID: 22773802
• Journal Information: Journal of Superconductivity and Novel Magnetism, Vol. 31, Issue 9; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); ISSN 1557-1939
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMS
COMPUTERIZED SIMULATION
CURIE POINT
D STATES
DENSITY OF STATES
EXCHANGE INTERACTIONS
IRON ALLOYS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MAGNETIZATION
MEAN-FIELD THEORY
MONTE CARLO METHOD
NICKEL TELLURIDES
P STATES
RELATIVISTIC RANGE
S STATES
SPIN ORIENTATION
TEMPERATURE RANGE 0273-0400 K
TRANSITION ELEMENTS