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Magnetism of Asymmetrically Terminated FeRh(001) Thin Films: A First-Principle Study
Jekal, Soyoung,Rhim, S. H.,Hong, S. C. IEEE 2016 IEEE transactions on magnetics Vol.52 No.7
<P>Rh-terminated FeRh(001) film is known to be stable in a ferromagnetic (FM) state different from a G-type antiferromagnetic (G-AFM) bulk ground state, while an Fe-terminated FeRh(001) film has the same ground state as the bulk. In this paper, we investigate the magnetic properties of asymmetrically terminated FeRh(001) films: one surface is Fe-terminated and the other is Rh-terminated. We found that the films thicker than eight monolayers (MLs) have more or less complicated magnetic configuration: the topmost three layers from the Rh-terminated surface are FM while the rest are G-AFM. In particular, the magnetic configuration of the 8-ML FeRh(001) film has lower energy than the whole-layer G-AFM and FM states by 10.2 and 0.2 meV/Fe, respectively. The magnetic configuration of the asymmetrically terminated films is explained by the magnetic energy gain due to the magnetization of the Rh atoms.</P>
Jekal, Soyoung,Kwon, Oryong,Hong, Soon Cheol,Lee, Jae Il American Scientific Publishers 2015 Journal of nanoscience and nanotechnology Vol.15 No.3
<P>A bulk d(0) NaN of rocksalt or zinc-blende structure was predicted to be a ferromagnetic half metal and furthermore the half-metallicity would be retained in thin films. Such half metallicity of d(0) ferromagnetic NaN is attractive for possible application in a spintronics device, such as a spin transfer torque magnetic random access memory. In this study, we carried out first-principles calculations on magnetocrystalline anisotropy rocksalt structured NaN thin films with different thicknesses, using Vienna Ab-initio Simulation Package code. It was found that the NaN(001) thin films have perpendicular magnetization with quite low magnetocrystalline anisotropy energies of order of 10 mu eV, but capping of a 5d-transition metal Ta monolayer over the NaN(001) thin films enhances the perpendicular magnetocrystalline anisotropy energies significantly, more than 10 times. Furthermore, the 1(Ta)/NaN(001) systems retain their half-metallicity except the NaN layer just below Ta.</P>
제일원리계산에 의한 단층 MoS₂ 의 1H/1T 경계 자성
제갈소영(Soyoung Jekal),홍순철(Soon Cheol Hong) 한국자기학회 2016 韓國磁氣學會誌 Vol.26 No.3
Monolayer MoS₂ is energetically most stable when it has a 1H phase, but 1H to 1T phase transition (1H→1T) is easily realized by various ways. Even though magnetic moment is not observed during 1H→1T, 0.049 μ<SUB>B</SUB>/MoS₂ is obtained in local 1T phase; 75% 2H and 25% 1T phases are mixed in (2 × 2) supercell. Most magnetic moment is originated from the 1T phase Mo atom in the supercell, while the magnetic moments of other atoms are negligible. As a result, magnetic/non-magnetic boundary is created in the monolayered MoS₂. Our result suggests that MoS₂ can be applied for spintronics such as a spin transistor.