We report on first-principles calculations of spin-dependent properties in graphene induced by its interaction with a nearby magnetic insulator (europium oxide, EuO). The magnetic proximity effect results in spin polarization of graphene π orbitals by up to 24%, together with a large exchange-splitting band gap of about 36 meV. The position of the Dirac cone is further shown to depend strongly on the graphene-EuO interlayer. These findings point toward the possible engineering of spin gating by the proximity effect at a relatively high temperature, which stands as a hallmark for future all-spin information processing technologies.

The Dzyaloshinskii-Moriya interaction (DMI), which only exists in noncentrosymmetric systems, is responsible for the formation of exotic chiral magnetic states. The absence of DMI in most two-dimensional (2D) magnetic materials is due to their intrinsic inversion symmetry. Here, using first-principles calculations, we demonstrate that significant DMI can be obtained in a series of Janus monolayers of manganese dichalcogenides MnXY (X/Y = S, Se, Te, X ≠ Y) in which the difference between X and Y on the opposites sides of Mn breaks the inversion symmetry. In particular, the DMI amplitudes of MnSeTe and MnSTe are comparable to those of state-of-the-art ferromagnet/heavy metal (FM/HM) heterostructures. In addition, by performing Monte Carlo simulations, we find that at low temperatures the ground states of the MnSeTe and MnSTe monolayers can transform from ferromagnetic states with worm-like magnetic domains into the skyrmion states by applying external magnetic field. At increasing temperature, the skyrmion states starts fluctuating above 50 K before an evolution to a completely disordered structure at higher temperature. The

Since the discovery of ferromagnetic two-dimensional (2D) van der Waals (vdW) crystals, significant interest on such 2D magnets has emerged, inspired by their appealing physical properties and integration with other 2D family for unique heterostructures. In known 2D magnets, spin-orbit coupling (SOC) stabilizes perpendicular magnetic anisotropy down to one or a few monolayers. Such a strong SOC could also lift the chiral degeneracy, leading to the formation of topological magnetic textures such as skyrmions through the Dzyaloshinskii-Moriya interaction (DMI). Here, we report the experimental observation of Néel-type chiral magnetic skyrmions and their lattice (SkX) formation in a vdW ferromagnet Fe 3 GeTe 2 (FGT). We demonstrate the ability to drive an individual skyrmion by short current pulses along a vdW heterostructure, FGT/h-BN, as highly required for any skyrmion-based spintronic device. Using first principle calculations supported by experiments, we unveil the origin of DMI being the interfaces with oxides, which then allows us to engineer vdW heterostructures for desired chiral states. Our finding opens the door to topological spin textures in the 2D vdW magnet and their potential device application.

We report strongly enhanced perpendicular magnetic anisotropy (PMA) of Co films by graphene coating from both first-principles and experiments. Our calculations show that graphene can dramatically boost the surface anisotropy of Co films up to twice the value of its pristine

We report a systematic first-principles investigation of the influence of different magnetic insulators on the magnetic proximity effect induced in graphene. Four different magnetic insulators are considered: two ferromagnetic europium chalcogenides namely EuO and EuS and two ferrimagnetic insulators yttrium iron garnet (YIG) and cobalt ferrite (CFO). The obtained exchange-splitting varies from tens to hundreds of meV. We also find an electron doping induced by YIG and europium chalcogenides substrates, that shift the Fermi level up to 0.78 eV and 1.3 eV respectively, whereas hole doping up to 0.5 eV is generated by CFO. Furthermore, we study the variation of the extracted exchange and tight binding parameters as a function of the EuO and EuS thicknesses. We show that those parameters are robust to thickness variation such that a single monolayer of magnetic insulator can induce a large magnetic proximity effect on graphene. Those findings pave the way towards possible engineering of graphene spin-gating by proximity effect especially in view of recent experiments advancement.

Using first-principles calculations, we elucidate microscopic mechanisms of perpendicular magnetic anisotropy (PMA)in Fe/MgO magnetic tunnel junctions through evaluation of orbital and layer resolved contributions into the total anisotropy value. It is demonstrated that the origin of the large PMA values is far beyond simply considering the hybridization between Fe-3d and O-2p orbitals at the interface between the metal and the insulator. On-site projected analysis show that the anisotropy energy is not localized at the interface but it rather propagates into the bulk showing an attenuating oscillatory behavior which depends on orbital character of contributing states and interfacial conditions. Furthermore, it is found in most situations that states with d yz(xz) and d z 2 character tend always to maintain the PMA while those with dxy and d x 2 −y 2 character tend to favor the in-plane anisotropy. It is also found that while MgO thickness has no influence on PMA, the calculated perpendicular magnetic anisotropy oscillates as a function of Fe thickness with a period of 2ML and reaches a maximum value of 3.6 mJ/m 2 .PACS numbers: 75.30. Gw, 75.70.Cn, 75.70.Tj, 72.25.Mk Perpendicular magnetic anisotropy (PMA) at ferromagnetic transition metal/insulator interfaces has become of huge interest in the context of development of various spintronic devices based on spin-transfer torque or spin-orbit torque (spin-hall or Rashba effect). In particular, out-of-plane magnetized magnetic tunnel junctions (pMTJ) are now intensively developed for spin transfer torque (STT) magnetic random access memories (STT-MRAM) applications where the strong perpendicular anisotropy originating from the CoFe/MgO interface allows to maintain the thermal stability of the storage layer magnetization down to at least the 20nm technological node [1][2][3][4][5][6][7][8][9]. This interest is due to the fact that it makes possible to avoid introducing within or next to the ferromagnet heavy non-magnetic elements (in particular Pt, Pd, Au etc) which were believed to be essential to trigger the PMA thanks to their large spin-orbit coupling (SOC) [10][11][12][13][14]. However, introducing these heavy elements is detrimental for STT based devices since their large spin-orbit coupling tends to increase the Gilbert damping resulting in an increase in the critical current required for switching the storage layer magnetization by STT. This interfacial PMA at CoFe/MgO interface is remarkably large despite the weak SOC. Indeed, PMA with large values up to 1 to 2 mJ/m 2 have been reported at Co(Fe)/MOx interfaces (M=Ta, Mg, Al, Ru etc) [6,[15][16][17]. These values are comparable to those observed at Co/Pt interface which is considered as a reference for large interfacial anisotropy [14]. Experimentally, it was observed by X-Ray photoemission (XPS) and X-Ray absorption experiments [18] that the interfacial PMA at ferromagnetic transition metal/oxide gets maximum when oxygen is present along the metal/oxide interface so that chemical bounds (hybridization) c...

Spin-transfer-torque magnetic random access memory (STT-MRAM) attracts extensive attentions due to its non-volatility, high density and low power consumption. The core device in STT-MRAM is CoFeB/MgO-based magnetic tunnel junction (MTJ), which possesses a high tunnel magnetoresistance ratio as well as a large value of perpendicular magnetic anisotropy (PMA). It has been experimentally proven that a capping layer coating on CoFeB layer is essential to obtain a strong PMA. However, the physical mechanism of such effect remains unclear. In this paper, we investigate the origin of the PMA in MgO/CoFe/metallic capping layer structures by using a first-principles computation scheme. The trend of PMA variation with different capping materials agrees well with experimental results. We find that interfacial PMA in the three-layer structures comes from both the MgO/CoFe and CoFe/capping layer interfaces, which can be analyzed separately. Furthermore, the PMAs in the CoFe/capping layer interfaces are analyzed through resolving the magnetic anisotropy energy by layer and orbital. The variation of PMA with different capping materials is attributed to the different hybridizations of both d and p orbitals via spin-orbit coupling. This work can significantly benefit the research and development of nanoscale STT-MRAM.

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