Ferromagnetism in Layered Metallic Fe$_{1/4}$TaS$_{2}$ in the Presence of Conventional and Dirac Carriers
Jin-Hua Wang1,2 , Ya-Min Quan1 , Da-Yong Liu1 , Liang-Jian Zou1,2**
1 Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 2300312 Science Island Branch of Graduate School, University of Science and Technology of China, Hefei 230026
Abstract ：We present the microscopic origin of the ferromagnetism of Fe$_{0.25}$TaS$_{2}$ and its finite-temperature magnetic properties. The band structures of Fe$_{0.25}$TaS$_{2}$ are first obtained by the first-principles calculations and it is found that both conventional and Dirac carriers coexist in metallic Fe$_{0.25}$TaS$_{2}$. Accordingly, considering the spin-orbit coupling of Fe $3d$ ion, we derive an effective Ruderman–Kittle–Kasuya–Yosida-type Hamiltonian between Fe spins in the presence of both the conventional parabolic-dispersion and the Dirac linear-dispersion carriers, which contains a Heisenberg-like, an Ising-like and an XY-like term. In addition, we obtain the ferromagnetic Curie temperature $T_{\rm c}$ by using the cluster self-consistent field method. Our results could address not only the high ferromagnetic Curie temperature but also the large magnetic anisotropy in Fe$_{x}$TaS$_{2}$.
收稿日期: 2019-10-11
出版日期: 2019-12-23
:
71.70.Ej
(Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect)
75.30.Hx
(Magnetic impurity interactions)
75.10.-b
(General theory and models of magnetic ordering)
75.30.Gw
(Magnetic anisotropy)
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2020, Vol. 37 
