First-principles study of perpendicular magnetic anisotropy in ferrimagnetic <i>D</i>22-Mn3X (X = Ga, Ge) on MgO and SrTiO3

Yang, Baishun; Jiang, Luhua; Chen, W. Z.; Tang, Ping; Zhang, J.; Zhang, X.-G.; Yan, Yu; Han, X. F.

doi:10.1063/1.5013667

Cited by 23 publications

(9 citation statements)

References 40 publications

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“…Meanwhile, magnetic tunnel junctions (MTJs) with PMA are beneficial for obtaining sufficiently high thermal stability and low critical switching current in nonvolatile magnetic random-access memories. As a result, much effort has been invested to investigate the PMA of 2D intrinsic ferromagnets, heterostructures, and MTJs. − As known, lower Curie temperatures of monolayer CrI 3 and bilayer Cr 2 Ge 2 Te 6 limit their application in high-density magnetic storage and spintronic devices. Hence, it is desirable to search for 2D intrinsic ferromagnets with high Curie temperature.…”

Section: Introductionmentioning

confidence: 99%

Prediction of Novel 2D Intrinsic Ferromagnetic Materials with High Curie Temperature and Large Perpendicular Magnetic Anisotropy

2020

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Two-dimensional intrinsic ferromagnets with high Curie temperature and large perpendicular magnetic anisotropy (PMA) are promising candidates for data storage and spintronics applications. In this work, first-principle calculations and Monte Carlo simulation are used to investigate the stability, electronic structure, and magnetic anisotropy of monolayers of CrSeX (X = Cl, Br, I). It is found that monolayer CrSeX (X = Cl, Br, I) species are two-dimensional intrinsic ferromagnets and are thermally stable at room temperature. It is worth noting that the Curie temperatures of monolayer CrSeX (X = Cl, Br, I) can reach or even exceed room temperature, and a strong PMA can be obtained in monolayer CrSeI. Interestingly, the PMA of monolayer CrSeI is mainly provided by the nonmetallic I atom with large spin–orbit coupling and magnetic anisotropy of the nonmetallic I atom reaching up to 0.572 meV/I atom, which is comparable to that of metallic Fe atoms at Fe/MgO interfaces. In contrast to monolayer CrSeI, monolayer CrSeCl and CrSeBr possess weak in-plane magnetic anisotropy, and their easily magnetized direction is the [100] axis. By analyzing the projected density of states and the p-orbital-resolved magnetic anisotropy energy of the nonmetallic I atom based on second-order perturbation theory, we find that the large PMA of monolayer CrSeI is mainly provided by the matrix element difference between the spin-up p x and p y states of the nonmetallic I atoms, and the difference between it and the matrix element difference between the spin-up p y and p z states of the nonmetallic I atoms in the case of the magnetic moment aligning [100] and [010] axes is the reason why the energy of monolayer CrSeI for the magnetic moment aligning [100] axis is smaller than the energy for the magnetic moment aligning [010] axis. This study suggests that monolayer CrSeI is a promising candidate for future applications in spintronic devices.

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Section: Introductionmentioning

confidence: 99%

Prediction of Novel 2D Intrinsic Ferromagnetic Materials with High Curie Temperature and Large Perpendicular Magnetic Anisotropy

2020

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“…A possible explanation given by Betto et al [40] is, that the Mn on the 2b position with a lower anisotropy does not significantly contribute to the Fermi level density of states. The AHE loops are therefore substantially influenced by the Mn/Fe species on the 4d site, which is recognized as the site contributing the most to the magnetocrystalline anisotropy in D0 22 Mn 3 Ga [42,50,51]. The inset to Fig.…”

Section: E Magnetotransport Propertiesmentioning

confidence: 98%

“…Our previous study on the strong PMA of Mn-Fe-Ga films grown on MgO shows the increase of M s with increasing Fe substitution at fixed Ga concentration [41]. The growth on SrTiO 3 (STO) substrates is predicted to enhance the magnetocrystalline anisotropy in Mn 3 Ga, due to the better lattice matching as compared to MgO [42]. In this paper, we report on an investigation of the tunable magnetic properties of Mn-Fe-Ga thin films grown on STO substrates.…”

Section: Introductionmentioning

confidence: 98%

Tunable magnetic properties in tetragonal Mn-Fe-Ga Heusler films with perpendicular anisotropy for spintronics applications

Kalache

Selle

Schnelle

et al. 2018

Phys. Rev. Materials

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High perpendicular magnetic anisotropy is essential for the development of high-efficiency spintronics devices. In this paper, we investigate the structural and magnetic properties of Mn-Fe-Ga Heusler thin films with perpendicular magnetic anisotropy inherent to the tetragonal D0 22 structure. High quality films were heteroepitaxially grown on SrTiO 3 substrates by magnetron sputtering technique. The magnetic properties such as saturation magnetization and coercive field are easily tunable by the variation of the Mn/Fe ratio, while retaining out-of-plane magnetization over large composition range. The uniaxial anisotropy was improved in Mn 2.6−x Fe x Ga 1.4 through Fe substitution at a fixed Ga excess. Films with composition Mn 1.6 Fe 1 Ga 1.4 were found to be stable down to a thickness of 10 nm. Transmission electron microscopy investigations proved the high quality of the films as well as chemical homogeneity. The Hall effect exhibits an anomalous contribution that dominates over the normal part, leading to Hall angle as high as 3.4%. These findings suggest great potential for the integration of tetragonal Heusler materials into spintronic devices.

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“…Also, the interfacial PMA in heavy metal/ferromagnet (FM) as well as FM/oxide , heterostructures can reach to few erg/cm 2 . If one focuses on the source of PMA, it is not difficult to find that the PMAs in these systems are mainly induced by the spin-polarized d-orbital of the magnetic metal atom, − whereas the nonmetallic element provides a negligible contribution to the magnetic anisotropy energy (MAE). Then the question occurs whether the nonmetallic element could induce an indispensable contribution to the MAE in some kinds of materials.…”

Section: Introductionmentioning

confidence: 99%

Nonmetallic Atoms Induced Magnetic Anisotropy in Monolayer Chromium Trihalides

et al. 2018

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Magnetic anisotropy (MA) is crucial for realization of long-range magnetic order in two-dimensional (2D) materials and the long-range ferromagnetic order was experimentally demonstrated in monolayer CrI3. Here, using first principles calculations, we systematically investigate the electronic structure and magnetic anisotropy of monolayer chromium trihalides, including CrCl3, CrBr3, and CrI3. We find that the perpendicular magnetic anisotropy in monolayer CrBr3 and CrI3 are mainly induced by the spin-polarized p-orbitals of nonmetallic Br and I atoms but not the magnetic Cr atom. Moreover, the magnetic anisotropy energy (MAE) of the I atom can reach up to 0.71 meV/atom, which is comparable to that of metallic Fe atom at the Fe/MgO interface. By analyzing the density of states and the p-orbital-resolved MAE of I and Br atoms based on the second-order perturbation theory, we find that the matrix element difference between the same spin p y and p x orbitals of I and Br atoms contributes most to their MAEs. Furthermore, the MAEs of each I and Br atom possess 2-fold symmetry and the MAEs of all I(Br) atoms show 6-fold symmetry in-plane, whereas the sum of the MAEs of these I and Br atoms along all in-plane magnetized axes is an identical value. These findings will benefit for a deeper understanding of the MA in 2D intrinsic ferromagnets and push 2D spintronic applications.

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First-principles study of perpendicular magnetic anisotropy in ferrimagnetic D22-Mn3X (X = Ga, Ge) on MgO and SrTiO3

Cited by 23 publications

References 40 publications

Prediction of Novel 2D Intrinsic Ferromagnetic Materials with High Curie Temperature and Large Perpendicular Magnetic Anisotropy

Prediction of Novel 2D Intrinsic Ferromagnetic Materials with High Curie Temperature and Large Perpendicular Magnetic Anisotropy

Tunable magnetic properties in tetragonal Mn-Fe-Ga Heusler films with perpendicular anisotropy for spintronics applications

Nonmetallic Atoms Induced Magnetic Anisotropy in Monolayer Chromium Trihalides

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