Model of orbital populations for voltage-controlled magnetic anisotropy in transition-metal thin films

Voltage-controlled magnetic anisotropy (VCMA) is an efficient way to manipulate the magnetization states in nanomagnets and is promising for low-power spintronic applications. The underlying physical mechanism for VCMA is known to involve a change in the d orbital occupation on the transition-metal interface atoms with an applied electric field. However, a simple qualitative picture of how this occupation controls the magnetocrystalline anisotropy (MCA) and even why in certain cases the MCA has the opposite sign remains elusive. In this paper, we exploit a simple model of orbital populations to elucidate a number of features typical for the interface MCA, and the effect of the electric field on it, for 3d transition-metal thin films used in magnetic tunnel junctions. We find that in all considered cases, including the Fe(001) surface, clean Fe1−xCox (001)/MgO interface, and oxidized Fe(001)/MgO interface, the effects of alloying and the electric field enhance the MCA energy with electron depletion, which is largely explained by the occupancy of the minority-spin dxz,yz orbitals. However, the hole-doped Fe(001) exhibits an inverse VCMA in which the MCA enhancement is achieved when electrons are accumulated at the Fe (001)/MgO interface with the applied electric field. In this regime, we predict a significantly enhanced VCMA that exceeds 1 pJ/Vm. Realizing this regime experimentally may be favorable for the practical purpose of voltage-driven magnetization reversal

Model of orbital populations for voltage-controlled magnetic anisotropy in transition-metal thin films

Voltage-controlled magnetic anisotropy (VCMA) is an efficient way to manipulate the magnetization states in nanomagnets and is promising for low-power spintronic applications. The underlying physical mechanism for VCMA is known to involve a change in the d orbital occupation on the transition-metal interface atoms with an applied electric field. However, a simple qualitative picture of how this occupation controls the magnetocrystalline anisotropy (MCA) and even why in certain cases the MCA has the opposite sign remains elusive. In this paper, we exploit a simple model of orbital populations to elucidate a number of features typical for the interface MCA, and the effect of the electric field on it, for 3d transition-metal thin films used in magnetic tunnel junctions. We find that in all considered cases, including the Fe(001) surface, clean Fe1−xCox (001)/MgO interface, and oxidized Fe(001)/MgO interface, the effects of alloying and the electric field enhance the MCA energy with electron depletion, which is largely explained by the occupancy of the minority-spin dxz,yz orbitals. However, the hole-doped Fe(001) exhibits an inverse VCMA in which the MCA enhancement is achieved when electrons are accumulated at the Fe (001)/MgO interface with the applied electric field. In this regime, we predict a significantly enhanced VCMA that exceeds 1 pJ/Vm. Realizing this regime experimentally may be favorable for the practical purpose of voltage-driven magnetization reversal

Spin-gapless semiconductivity and half metallicity in Heusler alloys

In recent years, ever increasing interest in spin-based electronics (spintronics) has resulted in the search for a new class of materials that can provide a high degree of transport spin polarization. An ideal candidate would act like insulator for one spin channel and a conductor or semiconductor for the opposite spin channel (e.g. half metals (HM), spin gapless semiconductors (SGS)). In this work, we present results of our computational and theoretical study (Staten, et al., J. Appl. Phys. 117, 17D115 (2015)) of Heusler compounds with potential commercial applications in the field of spintronics. We show that naturally these materials are metallic, however they may become SGS or HM when 50% of Al is substituted with In or Sn. Detailed study of the structural, electronic, and magnetic properties of these materials is presented. These properties are in good agreement with our preliminary experimental results

Interface states in CoFe2O4 spin-filter tunnel junctions

Spin-filter tunneling is a promising way to generate highly spin-polarized current, a key component for spintronics applications. In this work we explore the tunneling conductance across the spin-filter material CoFe2O4 interfaced with Au electrodes, a geometry which provides nearly perfect lattice matching at the CoFe2O4/Au(001) interface. Using density functional theory calculations we demonstrate that interface states play a decisive role in controlling the transport spin polarization in this tunnel junction. For a realistic CoFe2O4 barrier thickness, we predict a tunneling spin polarization of about -60%. We show that this value is lower than what is expected based solely on considerations of the spin-polarized band structure of CoFe2O4, and therefore that these interface states can play a detrimental role. We argue this is a rather general feature of ferrimagnetic ferrites and could make an important impact on spin-filter tunneling applications.Comment: 5 pages, 4 Figures plus 1 page supplemen

Localization effects and Anomalous Hall conductivity in a disordered 3D ferromagnet

We have prepared the Heusler alloy CoFeV0.5Mn0.5Si in bulk form via arc melting. CoFeV0.5Mn0.5Si is ferromagnetic with a Curie temperature of 657 K. The longitudinal resistivity exhibits a minimum at 150 K, which is attributable to competition between quantum interference corrections at low temperatures and inelastic scattering at higher temperatures. The magnetoresistance (MR) is positive and nearly linear at low temperatures and becomes negative at temperatures close to room temperature. The positive MR in the quantum correction regime is evidence of the presence of the enhanced electron interaction as a contributor to the longitudinal resistivity. Hall effect measurements indicate a carrier concentration of the order of 1022 cm-3, which is nearly 3 orders of magnitude higher than that found in the “parent” material CoFeMnSi. The higher carrier concentration is consistent with the predicted half metallicity of CoFeV0.5Mn0.5Si. The anomalous Hall conductivity of CoFeV0.5Mn0.5Si is temperature independent for temperatures below the resistivity minimum, which is strong evidence of the absence of quantum interference effects on the anomalous Hall conductivity in a 3D ferromagnet

Structural, magnetic, and electron-transport properties of epitaxial Mn\u3csub\u3e2\u3c/sub\u3ePtSn films

The growth of new magnetic materials on suitable insulating substrates is an important part of the development of spin-electronics devices for memory or information processing. Epitaxial thin films of Mn2PtSn were grown on a MgO [001] substrate by magnetron co-sputtering of the constituents. Structural, magnetic, and electron-transport properties were investigated. The epitaxial Mn2PtSn film has an inverse tetragonal structure with the c-axis aligned in the plane of the MgO substrate. The lattice constants determined using XRD and TEM analysis are c=6.124Å and a=b=4.505Å. The orientation of Mn2PtSn c-axis which is 45° away from the a-axis of MgO has resulted in a small lattice mismatch of about 2.8%. The measured saturation magnetization is 5.3 μB/f.u., which is smaller than the first-principles calculated value of 6.4 μB/f.u. for ferromagnetic spin arrangement. Magnetization measurements determined the bulk magnetocrystalline anisotropy constant Kv of about 11.3 Merg/cm3 (1.13MJ/m3). The electron-transport behavior is similar to that of normal magnetic metals. These results indicate that Mn2PtSn may have promising applications in spintronic devices

Modification of the G-phonon mode of graphene by nitrogen doping

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We show that the bond length change and the long range interaction of point defects are possible mechanisms responsible for the oscillatory behavior of the G frequency as a function of nitrogen concentration. At the same time, Friedel charge oscillations are unlikely to contribute to this behavior

Crystal structure, magnetism and magnetocaloric properties of Mn\u3csub\u3e2−x\u3c/sub\u3eSn\u3csub\u3e0.5\u3c/sub\u3eGa\u3csub\u3e0.5\u3c/sub\u3e (x=0, 0.3, 0.5, 0.8) alloys

Magnetic refrigeration based on the magnetocaloric effect has attracted recent attention due to advantages such as high efficiency and environmental friendliness. We have investigated the structural, magnetic and magnetocaloric properties of Mn2−xSn0.5Ga0.5 (x=0, 0.3, 0.5, 0.8) alloys prepared using arc-melting and meltspinning techniques with prospects for magnetic refrigeration. The Mn2−xSn0.5Ga0.5 alloys, except for Mn1.2Sn0.5Ga0.5, have a single-phase hexagonal crystal structure. The Mn1.2Sn0.5Ga0.5 alloy also contains a small amount of MnSn2 impurity phase. The Curie temperature and high-field (30 kOe) magnetization at 55 K decrease with increasing Mn concentration from 306 K and 64.1 emu/g (1.07 μB/Mn) for Mn1.2Sn0.5Ga0.5 to 262 K and 46.7 emu/g (0.85 μB/Mn) for Mn2Sn0.5Ga0.5, respectively. The peak values of magnetic entropy change are relatively small with ΔSM,max=1.7 Jkg−1K−1for Mn1.5Sn0.5Ga0.5 at 30 kOe. Despite this, these materials show considerable relative cooling power (RCP) along with a wide working temperature range near room temperature and negligible magnetic and thermal hysteresis, where Mn1.2Sn0.5Ga0.5 shows a highest RCP of 102.3 Jkg−1 at 30 kOe

Modification of the G-phonon mode of graphene by nitrogen doping

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We show that the bond length change and the long range interaction of point defects are possible mechanisms responsible for the oscillatory behavior of the G frequency as a function of nitrogen concentration. At the same time, Friedel charge oscillations are unlikely to contribute to this behavior