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One of the main obstacles that prevents practical applications of antiferromagnets is the difficulty of manipulating the magnetic order parameter. Recently, following the theoretical prediction [J. \v{Z}elezn\'y et al., PRL 113, 157201 (2014)], the electrical switching of magnetic moments in an antiferromagnet has been demonstrated [P. Wadley et al., Science 351, 587 (2016)]. The switching is due to the so-called spin-orbit torque, which has been extensively studied in ferromagnets. In this phenomena a non-equilibrium spin-polarization exchange coupled to the ordered local moments is induced by current, hence exerting a torque on the order parameter. Here we give a general systematic analysis of the symmetry of the spin-orbit torque in locally and globally non-centrosymmetric crystals. We study when the symmetry allows for a nonzero torque, when is the torque effective, and its dependence on the applied current direction and orientation of magnetic moments. For comparison, we consider both antiferromagnetic and ferromagnetic orders. In two representative model crystals we perform microscopic calculations of the spin-orbit torque to illustrate its symmetry properties and to highlight conditions under which the spin-orbit torque can be efficient for manipulating antiferromagnetic moments., Comment: 17 pages, 9 figures

We predict that a lateral electrical current in antiferromagnets can induce non-equilibrium N\'eel order fields, i.e. fields whose sign alternates between the spin sublattices, which can trigger ultra-fast spin-axis reorientation. Based on microscopic transport theory calculations we identify staggered current-induced fields analogous to the intra-band and to the intrinsic inter-band spin-orbit fields previously reported in ferromagnets with a broken inversion-symmetry crystal. To illustrate their rich physics and utility, we considered bulk Mn2Au with the two spin sublattices forming inversion partners, and a 2D square-lattice antiferromagnet with broken structural inversion symmetry modelled by a Rashba spin-orbit coupling. We propose an AFM memory device with electrical writing and reading., Comment: 5 pages, 4 figures

Recent studies have demonstrated the potential of antiferromagnets as the active component in spintronic devices. This is in contrast to their current passive role as pinning layers in hard disk read heads and magnetic memories. Here we report the epitaxial growth of a new high-temperature antiferromagnetic material, tetragonal CuMnAs, which exhibits excellent crystal quality, chemical order and compatibility with existing semiconductor technologies. We demonstrate its growth on the III-V semiconductors GaAs and GaP, and show that the structure is also lattice matched to Si. Neutron diffraction shows collinear antiferromagnetic order with a high Ne\'el temperature. Combined with our demonstration of room-temperature exchange coupling in a CuMnAs/Fe bilayer, we conclude that tetragonal CuMnAs films are suitable candidate materials for antiferromagnetic spintronics., Comment: 16 pages, 5 figures, Published in Nature Communications (2013)

An empirical multiorbital (spd) tight binding (TB) model including magnetism and spin-orbit coupling is applied to calculations of magnetic anisotropy energy (MAE) in CoPt L1_0 structure. A realistic Slater-Koster parametrisation for single-element transition metals is adapted for the ordered binary alloy. Spin magnetic moment and density of states are calculated using a full-potential linearized augmented plane-wave (LAPW) ab initio method and our TB code with different variants of the interatomic parameters. Detailed mutual comparison of this data allows for determination of a subset of the compound TB parameters tuning of which improves the agreement of the TB and LAPW results. MAE calculated as a function of band filling using the refined parameters is in broad agreement with ab initio data for all valence states and in quantitative agreement with ab initio and experimental data for the natural band filling. Our work provides a practical basis for further studies of relativistic magnetotransport anisotropies by means of local Green's function formalism which is directly compatible with our TB approach., Comment: 10 pages, 4 figures

We report on a theoretical and experimental study of CuMn-V antiferromagnets. Previous works showed low-temperature antiferomagnetism and semimetal electronic structure of the semi-Heusler CuMnSb. In this paper we present theoretical predictions of high-temperature antiferromagnetism in the stable orthorhombic phases of CuMnAs and CuMnP. The electronic structure of CuMnAs is at the transition from a semimetal to a semiconductor and we predict that CuMnP is a semiconductor. We show that the transition to a semiconductor-like band structure upon introducing the lighter group-V elements is present in both the metastable semi-Heusler and the stable orthorhombic crystal structures. On the other hand, the orthorhombic phase is crucial for the high N\'eel temperature. Results of X-ray diffraction, magnetization, transport, and neutron diffraction measurements we performed on chemically synthesized CuMnAs are consistent with the theory predictions., Comment: 7 pages, 10 figures

We report high resolution x-ray diffraction measurements of (Ga,Mn)As and (Ga,Mn)(As,P) epilayers. We observe a structural anisotropy in the form of stacking faults which are present in the (111) and (11-1) planes and absent in the (-111) and (1-11) planes. The stacking faults produce no macroscopic strain. They occupy 0.01 - 0.1 per cent of the epilayer volume. Full-potential density functional calculations evidence an attraction of Mn_Ga impurities to the stacking faults. We argue that the enhanced Mn density along the common [1-10] direction of the stacking fault planes produces sufficiently strong [110]/[1-10] symmetry breaking mechanism to account for the in-plane uniaxial magnetocrystalline anisotropy of these ferromagnetic semiconductors., Comment: 4 pages, 4 figures

We analyze microscopically the valence and impurity band models of ferromagnetic (Ga,Mn)As. We find that the tight-binding Anderson approach with conventional parameterization and the full potential LDA+U calculations give a very similar picture of states near the Fermi energy which reside in an exchange-split sp-d hybridized valence band with dominant orbital character of the host semiconductor; this microscopic spectral character is consistent with the physical premise of the k.p kinetic-exchange model. On the other hand, the various models with a band structure comprising an impurity band detached from the valence band assume mutually incompatible microscopic spectral character. By adapting the tight-binding Anderson calculations individually to each of the impurity band pictures in the single Mn impurity limit and then by exploring the entire doping range we find that a detached impurity band does not persist in any of these models in ferromagnetic (Ga,Mn)As., Comment: 29 pages, 25 figures

We report on a systematic study of optical properties of (Ga,Mn)As epilayers spanning the wide range of accessible substitutional Mn_Ga dopings. The growth and post-growth annealing procedures were optimized for each nominal Mn doping in order to obtain films which are as close as possible to uniform uncompensated (Ga,Mn)As mixed crystals. We observe a broad maximum in the mid-infrared absorption spectra whose position exhibits a prevailing blue-shift for increasing Mn-doping. In the visible range, a peak in the magnetic circular dichroism blue shifts with increasing Mn-doping. These observed trends confirm that disorder-broadened valence band states provide a better one-particle representation for the electronic structure of high-doped (Ga,Mn)As with metallic conduction than an energy spectrum assuming the Fermi level pinned in a narrow impurity band., Comment: 22 pages, 14 figures

After decades of research, the low Curie temperature of ferromagnetic semiconductors remains the key problem in the development of magnetic semiconductor spintronic technologies. Removing this roadblock might require a change of the field's basic materials paradigm by looking beyond ferromagnets. Recent studies of relativistic magnetic and magnetotransport anisotropy effects, which in principle are equally well present in materials with ferromagnetically and antiferromagnetically ordered spins, have inspired our search for antiferromagnetic semiconductors suitable for high-temperature spintronics. Since these are not found among the magnetic counterparts of common III-V or II-VI semi- conductors, we turn the attention in this paper to high N \'eel temperature I-II-V magnetic compounds whose electronic structure has not been previously identified. Our combined experimental and theoretical work on LiMnAs provides basic prerequisite for the systematic research of this class of materials by demonstrating the feasibility to grow single crystals of group-I alkali metal compounds by molecular beam epitaxy, by demonstrating the semiconducting band structure of the I-Mn-V's, and by analyzing their spin-orbit coupling characteristics favorable for spintronics., Comment: 11 pages, 5 figures

(Ga,Mn)As and related diluted magnetic semiconductors play a major role in spintronics research because of their potential to combine ferromagnetism and semiconducting properties in one physical system. Ferromagnetism requires ~1-10% of substitutional Mn_Ga. Unintentional defects formed during growth at these high dopings significantly suppress the Curie temperature. We present experiments in which by etching the (Ga,Mn)As surface oxide we achieve a dramatic reduction of annealing times necessary to optimize the ferromagnetic film after growth, and report Curie temperature of 180 K at approximately 8% of Mn_Ga. Our study elucidates the mechanism controlling the removal of the most detrimental, interstitial Mn defect. The limits and utility of electrical gating of the highly-doped (Ga,Mn)As semiconductor are not yet established; so far electric-field effects have been demonstrated on magnetization with tens of Volts applied on a top-gate, field effect transistor structure. In the second part of the paper we present a back-gate, n-GaAs/AlAs/GaMnAs transistor operating at a few Volts. Inspired by the etching study of (Ga,Mn)As films we apply the oxide-etching/re-oxidation procedure to reduce the thickness (arial density of carriers) of the (Ga,Mn)As and observe a large enhancement of the gating efficiency. We report gatable spintronic characteristics on a series of anisotropic magnetoresistance measurements., Comment: 13 pages, 4 figures

We discuss the character of states near the Fermi level in Mn doped GaAs, as revealed by a survey of dc transport and optical studies over a wide range of Mn concentrations. A thermally activated valence band contribution to dc transport, a mid-infrared peak at energy hbar omega approx 200 meV in the ac- conductivity, and the hot photoluminescence spectra indicate the presence of an impurity band in low doped (<<1% Mn) insulating GaAs:Mn materials. Consistent with the implications of this picture, both the impurity band ionization energy inferred from the dc transport and the position of the mid-infrared peak move to lower energies and the peak broadens with increasing Mn concentration. In metallic materials with > 2% doping, no traces of Mn-related activated contribution can be identified in dc-transport, suggesting that the impurity band has merged with the valence band. No discrepancies with this perception are found when analyzing optical measurements in the high-doped GaAs:Mn. A higher energy (hbar omega approx 250 meV) mid-infrared feature which appears in the metallic samples is associated with inter-valence band transitions. Its red-shift with increased doping can be interpreted as a consequence of increased screening which narrows the localized-state valence-band tails and weakens higher energy transition amplitudes. Our examination of the dc and ac transport characteristics of GaAs:Mn is accompanied by comparisons with its shallow acceptor counterparts, confirming the disordered valence band picture of high-doped metallic GaAs:Mn material., Comment: 10 pages, 12 figures

A remarkable progress towards functional ferromagnetic semiconductor materials for spintronics has been achieved in p-type (Ga,Mn)As. Robust hole-mediated ferromagnetism has, however, been observed also in other III-V hosts such as antimonides, GaP or (Al,Ga)As which opens a wide area of possibilities for optimizing the host composition towards higher ferromagnetic Curie temperatures. Here we explore theoretically ferromagnetism and Mn incorporation in Ga(As,P) and (Al,Ga)As ternary hosts. While alloying (Ga,Mn)As with Al has only a small effect on the Curie temperature we predict a sizable enhancement of Curie temperatures in the smaller lattice constant Ga(As,P) hosts. Mn-doped Ga(As,P) is also favorable, as compared to (Al,Ga)As, with respect to the formation of carrier and moment compensating interstitial Mn impurities. In (Ga,Mn)(As,P) we find a marked decrease of the partial concentration of these detrimental impurities with increasing P content., Comment: 7 pages, 6 figures

We propose to replace Ga in (Ga,Mn)As with Li and Zn as a route to high Curie temperature, carrier mediated ferromagnetism in a dilute moment n-type semiconductor. Superior material characteristics, rendering Li(Zn,Mn)As a realistic candidate for such a system, include unlimited solubility of the isovalent substitutional Mn impurity and carrier concentration controlled independently of Mn doping by adjusting Li-(Zn,Mn) stoichiometry. Our predictions are anchored by detail ab initio calculations and comparisons with the familiar and directly related (Ga,Mn)As, by the microscopic physical picture we provide for the exchange interaction between Mn local moments and electrons in the conduction band, and by analysis of prospects for the controlled growth of Li(Zn,Mn)As materials., Comment: 4 pages, 4 figures

The body of research on (III,Mn)V diluted magnetic semiconductors initiated during the 1990's has concentrated on three major fronts: i) the microscopic origins and fundamental physics of the ferromagnetism that occurs in these systems, ii) the materials science of growth and defects and iii) the development of spintronic devices with new functionalities. This article reviews the current status of the field, concentrating on the first two, more mature research directions. From the fundamental point of view, (Ga,Mn)As and several other (III,Mn)V DMSs are now regarded as textbook examples of a rare class of robust ferromagnets with dilute magnetic moments coupled by delocalized charge carriers. Both local moments and itinerant holes are provided by Mn, which makes the systems particularly favorable for realizing this unusual ordered state. Advances in growth and post-growth treatment techniques have played a central role in the field, often pushing the limits of dilute Mn moment densities and the uniformity and purity of materials far beyond those allowed by equilibrium thermodynamics. In (III,Mn)V compounds, material quality and magnetic properties are intimately connected. In the review we focus on the theoretical understanding of the origins of ferromagnetism and basic structural, magnetic, magneto-transport, and magneto-optical characteristics of simple (III,Mn)V epilayers, with the main emphasis on (Ga,Mn)As. The conclusions we arrive at are based on an extensive literature covering results of complementary ab initio and effective Hamiltonian computational techniques, and on comparisons between theory and experiment., Comment: 58 pages, 49 figures Version accepted for publication in Rev. Mod. Phys. Related webpage: http://unix12.fzu.cz/ms/

Tunneling anisotropic magnetoresistance (TAMR) effect, discovered recently in (Ga,Mn)As ferromagnetic semiconductors, arises from spin-orbit coupling and reflects the dependence of the tunneling density of states in a ferromagnetic layer on orientation of the magnetic moment. Based on ab initio relativistic calculations of the anisotropy in the density of states we predict sizable TAMR effects in room-temperature metallic ferromagnets. This opens prospect for new spintronic devices with a simpler geometry as these do not require antiferromagnetically coupled contacts on either side of the tunnel junction. We focus on several model systems ranging from simple hcp-Co to more complex ferromagnetic structures with enhanced spin-orbit coupling, namely bulk and thin film L1$_0$-CoPt ordered alloys and a monatomic-Co chain at a Pt surface step edge. Reliability of the predicted density of states anisotropies is confirmed by comparing quantitatively our ab initio results for the magnetocrystalline anisotropies in these systems with experimental data., Comment: 4 pages, 2 figures

We apply the density-functional technique to determine the lattice constant of GaAs supercells containing Mn_Ga, Mn_int, and As_Ga impurities, and use a linear interpolation to describe the dependence of the lattice constant a of Ga_{1-x}Mn_xAs on the concentrations of these impurities. The results of the supercell calculations confirm that Mn_Ga does not contribute to the lattice expansion. The increase of a is due to both Mn_int and As_Ga, that are both created in the as-grown (Ga,Mn)As in proportion to x, and that are most probably present in a remarkable amount also in the best annealed materials., Comment: 3 pages, 2 figures, presented at XXXIV Int. School. on the Physics of Semiconducting Compounds - Jaszowiec 2005, Ustron-Jaszowiec, Poland, June 4-10, 2005

We report on a comprehensive study of the ferromagnetic moment per Mn atom in (Ga,Mn)As ferromagnetic semiconductors. Theoretical discussion is based on microscopic calculations and on an effective model of Mn local moments antiferromagnetically coupled to valence band hole spins. The validity of the effective model over the range of doping studied is assessed by comparing with microscopic tight-binding/coherent-potential approximation calculations. Using the virtual crystal k.p model for hole states, we evaluate the zero-temperature mean-field contributions to the magnetization from the hole kinetic and exchange energies, and magnetization suppression due to quantum uctuations of Mn moment orientations around their mean-field ground state values. Experimental low-temperature ferromagnetic moments per Mn are obtained by superconducting quantum interference device and x-ray magnetic circular dichroism measurements in a series of (Ga,Mn)As semiconductors with nominal Mn doping ranging from ~2% to 8%. Hall measurements in as-grown and annealed samples are used to estimate the number of uncompensated substitutional Mn moments. Based on our comparison between experiment and theory we conclude that all these Mn moments in high quality (Ga,Mn)As materials have nearly parallel ground state alignment., Comment: 11 pages, 11 figures, submitted to Phys. Rev. B

We report on a comprehensive combined experimental and theoretical study of Curie temperature trends in (Ga,Mn)As ferromagnetic semiconductors. Broad agreement between theoretical expectations and measured data allows us to conclude that T_c in high-quality metallic samples increases linearly with the number of uncompensated local moments on Mn_Ga acceptors, with no sign of saturation. Room temperature ferromagnetism is expected for a 10% concentration of these local moments. Our magnetotransport and magnetization data are consistnent with the picture in which Mn impurities incorporated during growth at interstitial Mn_I positions act as double-donors and compensate neighboring Mn_Ga local moments because of strong near-neighbor Mn_Ga-Mn_I antiferromagnetic coupling. These defects can be efficiently removed by post-growth annealing. Our analysis suggests that there is no fundamental obstacle to substitutional Mn_Ga doping in high-quality materials beyond our current maximum level of 6.2%, although this achievement will require further advances in growth condition control. Modest charge compensation does not limit the maximum Curie temperature possible in ferromagnetic semiconductors based on (Ga,Mn)As., Comment: 13 pages, 12 figures, submitted to Phys. Rev. B

We use the density-functional theory to calculate the total energy of mixed crystals (Ga,Mn)As with a small concentration of various donors. We find that the formation energy of Mn depends strongly on the partial concentrations of Mn in the substitutional and interstitial positions, and on the concentration of other dopants. The composition dependence of the formation energies represents an effective feedback mechanism, resulting in the self-compensation property of (Ga,Mn)As. We show that the partial concentrations of both substitutional and interstitial Mn increase proportionally to the total concentration of Mn., Comment: presented at XXXIII International School on the Physics of Semiconducting Compounds, "Jaszowiec 2004"

We present ab initio calculations of total energies of Mn atoms in various interstitial positions. The calculations are performed by the full-potential linearized plane-wave method. The minimum energy is found for tetrahedral T(As4) position, but the energy of the T(Ga4) site differs by only a few meV. The T(Ga4) position becomes preferable in the p-type materials. In samples with one substitutional and one interstitial Mn the Mn atoms tend to form close pair with antiparallel magnetic moments. We also use the spin-splitting of the valence band to estimate the exchange coupling Jpd for various positions of Mn. It is the same for the substitutional and T(As4) position and it is only slightly reduced for the T(Ga4) position. The hybridization of Mn d-states with six next-nearest neighbors of the interstitial Mn explains the insensitivity of Jpd to the position of Mn., Comment: 6 pages, 3 figures, 3 tables, submitted to the Physical Review B

We present a theoretical study of (Ga,Mn)(As,C) diluted magnetic semiconductors with high C acceptor density that combines insights from phenomenological model and microscopic approaches. A tight-binding coherent potential approximation is used to describe the electronic structure in the presence of Mn$_{\rm Ga}$ and C$_{\rm As}$ impurities. We find only a small effect of C on the distribution and coherence of electronic states close to the top of the valence band and on the coupling between Mn moments, even at doping levels of several per cent. These results justify applying the model of ferromagnetic Mn-Mn coupling mediated by itinerant holes in the valence band also to C doped samples. The increase of ferromagnetic transition temperature due to the presence of C acceptors is illustrated by calculations that use the k.p Kohn-Luttinger description of the GaAs valence band and assume systems where Mn local moment and itinerant hole densities can be varied independently., Comment: 4 pages, 3 figures

The electronic structure of diluted (Ga,Mn)As magnetic semiconductors in the presence of As-antisites and magnetic disorder is studied within the framework of the local spin density approximation. Both the chemical and magnetic disorders are treated using the coherent potential approximation. A ground state with partial disorder in the local moments and with a reduced total magnetic moment appears in the presence of As-antisites. We first estimate the Curie temperature T_c from total energy differences between the ferromagnetic and the paramagnetic state by identifying these with the corresponding energy difference in a classical Heisenberg model. A more systematic approach within the framework of the mean-field approximation to estimate T_c consists in an evaluation of the effective exchange fields acting on the magnetic moment at a given site. The presence of As-antisites strongly reduces the Curie temperature. The results indicate that the effect of impurities on the electronic structure cannot be neglected and influences the Curie temperature non-negligibly. A comparison of the calculated Curie temperatures to existing experimental data indicates an increase of the donor concentration with the increase of the Mn-content., Comment: 6 figures

The substitution of Mn in the III-V diluted magnetic semiconductors leads to a strong electron scattering on impurities. Besides the features induced in the valence band by the hybridization with the Mn d-states, also the conduction band is affected by the absence of the Mn s-states at its edge. Also the high concentration of compensating donors modifies the band structure. This is shown on the absorption coefficient epsilon2(omega) of GaP doped with Mn and Se. The absorption evaluated by ab initio density functional calculations starts with a smooth tail and does not show the structure typical for III-V materials. We analyze these features and the role of the donors on model systems using the tight-binding coherent potential approach., Comment: 8 pages, 3 figures, presented at XXXI Int. School of Semiconducting Compounds, Jaszowiec 2002, Poland

We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlation between the incorporation of acceptors (Mn, Zn) and donors (Sn, antisite As). In particular, the formation energy of As_Ga is reduced by approx. 0.1 eV in the presence of Mn, and vice versa. This leads to the self-compensating behavior of (Ga,Mn)As., Comment: 8 pages, 2 figures, presented at the XXXI Int. School of Semiconducting Compounds, Jaszowiec 2002, Poland

We use the density-functional calculations to investigate the compositional dependence of the lattice constant of (Ga,Mn)As containing various native defects. The lattice constant of perfect mixed crystals does not depend much on the concentration of Mn. The lattice parameter increases if some Mn atoms occupy interstitial positions. The same happens if As antisite defects are present. A quantitative agreement with the observed compositional dependence is obtained for materials close to a complete compensation due to these two donors. The increase of the lattice constant of (Ga,Mn)As is correlated with the degree of compensation: the materials with low compensation should have lattice constants close to the lattice constant of GaAs crystal., Comment: 4 pages, 3 figures

We consider hypothetical Ga7MnAs8, Ga16MnAs16, and Ga14Mn3As16 crystals with Mn in a substitutional, interstitial, and both positions. Spin-polarized FPLAPW calculations were used to obtain their electronic structure. We show that the interstitial Mn acts as a double donor and compensates the holes created by two Mn atoms in substitutional positions. This explains why the number of holes in Ga(1-x)Mn(x)As is much smaller than x. The presence of interstitial atoms may also be the reason for the lattice expansion with increasing content of Mn. The differences in electronic behavior of substitutional and interstitial Mn are discussed., Comment: 6 pages, 2 figures