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K. D. Belashchenko

Publications and source records attributed to K. D. Belashchenko.

At least 19 recordsLinked to original sources

Landau theory and exchange instabilities in Mn$_5$Si$_3$: A case against altermagnetism

Thin-film Mn$_5$Si$_3$ is one of the most studied altermagnetic candidates thanks to its metallicity, demonstrated anomalous transport properties, and assumed $d$-wave exchange splitting pattern enabling spin-polarized transport and various spintronic applications. Its postulated altermagnetic structure has zero propagation vector, in contrast to the collinear antiferromagnetic bulk phase (AFM2) which orders at the $M$ star. In this work, the two phases are analyzed using Landau theories, first-principles calculations of the paramagnetic instabilities, and Monte Carlo simulations. AFM2 appears in a Landau theory as a symmetry-protected inversion-even, permutation-odd mode at a single arm of the $M$ star. At $Γ$, the same intracell ordering pattern belongs to the collinear branch of an $E_{2g}$ order parameter. In both cases, higher-order terms are required for the phase selection. First-principles calculations for the paramagnetic, disordered-local-moment state correctly identify the leading exchange instability at the $M$ star, and the resulting classical Heisenberg model orders at a reasonable temperature into the orthogonal $3M$ phase favored by single-site entropy. The $Γ$-point $E_{2g}$ mode, whose Landau theory contains the altermagnetic sector, is substantially weaker and further suppressed by epitaxial strain representative of Mn$_5$Si$_3$ films exhibiting anomalous transport. The same strain reduces the leading magnetic exchange scale. These results provide a natural explanation for the bulk $M$-point instability but strongly disfavor the postulated relocation of the propagation vector from $M$ to $Γ$ in a moderately strained bulklike Mn$_5$Si$_3$ film, suggesting that the corresponding altermagnetic phase is unlikely to be stabilized without additional physics.

cond-mat.mtrl-sci

Roughness-robust surface altermagnetism in $PT$ antiferromagnets

Surface altermagnetism extends spin splitting beyond bulk altermagnets through symmetry reduction at surfaces and interfaces. An existing classification applies to the local symmetry of atomically flat surface terraces. The present paper addresses the symmetry of macroscopic spin-momentum correlations that survive averaging over compensated rough surfaces. These correlations are governed by the surface antisymmetry Laue point group. Rough-surface altermagnetism is forbidden at any surface of a magnet whose antisymmetry space group contains antitranslations, and the classification therefore reduces to $PT$-symmetric antiferromagnets. By restoring all symmetries leaving the surface normal invariant, roughness can generate compensated surface altermagnets from uncompensated flat terminations, increase the surface symmetry, or suppress spin splitting. By combining bulk switchability with altermagnetic surface transport properties, roughness-robust surface altermagnetism in $PT$-symmetric antiferromagnets provides a route toward spintronic functionality.

cond-mat.mtrl-sci

Deterministic Electrical Switching in Altermagnets via Surface Antisymmetry Groups

A surface antisymmetry group framework is developed to establish design rules for deterministic electrical switching of the Néel vector in a film of a collinear bipartite antiferromagnet. In centrosymmetric altermagnets, where current-induced spin-orbit torques vanish in the bulk, staggered effective fields can nevertheless exist as a macroscopic interfacial response, whose allowed tensor form is determined by the surface antisymmetry point group for the given surface orientation. Separately, the structure of the spin conductivity tensor determines which surface orientations allow transverse spin current generation via the nonrelativistic spin-splitter effect. Taken together, these symmetry-enforced properties establish which surface orientations of $d$-wave altermagnets can serve as deterministically switchable spin current sources in spin-torque heterostructures. Because the design rules are based solely on the surface antisymmetry point group, the symmetry-allowed staggered effective fields are robust against averaging over equilibrium surface roughness.

cond-mat.mtrl-sci

Tuning of altermagnetism by strain

For all collinear altermagnets, we sort out piezomagnetic free-energy invariants allowed in the nonrelativistic limit and relativistic piezomagnetic invariants bilinear in the Néel vector $\mathbf{L}$ and magnetization $\mathbf{M}$, which include strain-induced Dzyaloshinskii-Moriya interaction. The symmetry-allowed responses are fully determined by the nonrelativistic spin Laue group. In the nonrelativistic limit, two distinct mechanisms are discussed: the band-filling mechanism, which exists in metals and is illustrated using the simple two-dimensional Lieb lattice model, and the temperature-dependent exchange-driven mechanism, which is illustrated using first-principles calculations for transition-metal fluorides. The leading second-order nonrelativistic term in the strain-induced magnetization is also obtained for CrSb. Piezomagnetism due to the strain-induced Dzyaloshinskii-Moriya interaction is calculated from first principles for transition-metal fluorides, MnTe, and CrSb. Finally, we discuss triplet superconducting correlations supported by altermagnets and protected by inversion rather than time-reversal symmetry. We apply the nonrelativistic classification of Cooper pairs to describe the interplay between strain and superconductivity in the two-dimensional Lieb lattice and in bulk rutile structures. We show that triplet superconductivity is, on average, unitary in an unstrained altermagnet, but becomes non-unitary under piezomagnetically active strain.

cond-mat.mtrl-sci

Mystery of the 175 cm$^{-1}$ Raman Mode in MnTe Altermagnet

MnTe has recently attracted exceptional attention due to its well-established altermagnetism, prompting a thorough reexamination of its properties. In particular, it was found that a Raman-active excitation at ~175 cm$^{-1}$, routinely assigned to the E2g phonon, is incompatible with this interpretation. It was further hypothesized that this mode is a "leakage", due to symmetry lowering, of an otherwise forbidden phonon. Here, using first-principles calculations, we decisively rule out this hypothesis and propose an alternative interpretation that the "mystery mode" is an electronic excitation, i.e., a plasmon, enabled by hole self-doping. The resolution of this mystery will require additional experiments and shed new light on the nature of electronic transport in MnTe.

cond-mat.mtrl-sci

Spin-orbit torque in a three-fold-symmetric bilayer and its effect on magnetization dynamics

Field-free switching of perpendicular magnetization has been observed in an epitaxial L1$_1$-ordered CoPt/CuPt bilayer and attributed to spin-orbit torque (SOT) arising from the crystallographic $3m$ point group of the interface. Using a first-principles nonequilibrium Green's function formalism combined with the Anderson disorder model, we calculate the angular dependence of the SOT in a CoPt/CuPt bilayer and find that the magnitude of the $3m$ SOT is about 20% of the conventional dampinglike SOT. We further study the magnetization dynamics in perpendicularly magnetized films in the presence of $3m$ SOT and Dzyaloshinskii-Moriya interaction, using the equations of motion for domain wall dynamics and micromagnetic simulations. We find that for systems with strong interfacial DMI characterized by the Néel character of domain walls, a very large current density is required to achieve deterministic switching because reorientation of the magnetization inside the domain wall is necessary to induce the switching asymmetry. For thicker films with relatively weak interfacial DMI and the Bloch character of domain walls the deterministic switching with much smaller currents is possible, which agrees with recent experimental findings.

cond-mat.mtrl-sci

Origin of the gossamer ferromagnetism in MnTe

Absence of net magnetization in altermagnetis is both a blessing (no stray fields) and a curse (no obvious way to manipulate altermagnetic domains by external fields). Yet, MnTe was demonstrated experimentally to have no measurable stray fields and yet controllable by external magnetic filed - a win-win situation. In this paper we unravel the microscopic mechanism of this property. It appear to emerge from concerted action of three different mechanisms. Microscopic understanding of the beneficial properties of MnTe opens a road to controllable design of similar altermagnets for spintronics applications.

cond-mat.mtrl-sci

Giant strain-induced spin splitting effect in MnTe, a $g$-wave altermagnetic semiconductor

Hexagonal MnTe is an altermagnetic semiconductor with $g$-wave symmetry of spin polarization in momentum space. In the nonrelativistic limit, this symmetry mandates that electric current flowing in any crystallographic direction is unpolarized. However, it is shown that elastic strain is effective in inducing the spin splitting effect in MnTe. For this analysis, a spin-orbit-coupled $\mathbf{k}\cdot\mathbf{p}$ Hamiltonian for the valence band maximum at the A point is derived and fitted to eigenvalues calculated from first principles. The spin splitting angle is calculated using the Boltzmann approach in the relaxation-time approximation. The spin splitting gauge factor exceeds 20 near the valence band maximum. Thus, with suitable substrate engineering, MnTe can be used as an efficient source and detector of spin current in spintronic devices. Proper inclusion of the Rashba-Dresselhaus spin-orbit coupling is crucial for the correct description of the transport properties of MnTe.

cond-mat.mtrl-sci

Direct and indirect spin current generation and spin-orbit torques in ferromagnet/nonmagnet/ferromagnet trilayers

Spin-orbit torques in ferromagnet/nonmagnet/ferromagnet trilayers are studied using a combination of symmetry analysis, circuit theory, semiclassical simulations, and first-principles calculations using the non-equilibrium Green's function method with supercell disorder averaging. We focus on unconventional processes involving the interplay between the two ferromagnetic layers, which are classified into direct and indirect mechanisms. The direct mechanism involves spin current generation by one ferromagnetic layer and its subsequent absorption by the other. In the indirect mechanism, the in-plane spin-polarized current from one ferromagnetic layer ``leaks'' into the other layer, where it is converted into an out-of-plane spin current and reabsorbed by the original layer. The direct mechanism results in a predominantly dampinglike torque, which damps the magnetization towards a certain direction $\mathbf{s}_d$. The indirect mechanism results in a predominantly fieldlike torque with respect to a generally different direction $\mathbf{s}_f$. Similar to the current-in-plane giant magnetoresistance, the indirect mechanism is only active if the thickness of the nonmagnetic spacer is smaller than or comparable to the mean-free path. Numerical calculations for a semiclassical model based on the Boltzmann equation confirm the presence of both direct and indirect mechanisms of spin current generation. First-principles calculations reveal sizeable unconventional spin-orbit torques in Co/Cu/Co, Py/Cu/Py, and Co/Pt/Co trilayers and provide strong evidence of indirect spin current generation.

cond-mat.mes-hall

Interplay of magnetic field and magnetic impurities in Ising superconductors

Phonon-driven $s$-wave superconductivity is fundamentally antagonistic to uniform magnetism, and field-induced suppression of the critical temperature is one of its canonical signatures. Examples of the opposite are unique and require fortuitous cancellations and very fine parameter tuning. The recently discovered Ising superconductors violate this rule: an external magnetic field applied in a certain direction does not suppress superconductivity in an ideal, impurity-free material. We propose a simple and experimentally accessible system where the effects of spin-conserving and spin-flip scattering can be studied in a controlled way, namely NbSe$_2$ monolayers dosed with magnetic $3d$ atoms. We predict that the critical temperature is slightly increased by an in-plane magnetic field in NbSe$_2$ dosed with Cr. Due to the band spin splitting, magnetic spin-flip scattering requires a finite momentum transfer, while spin-conserving scattering does not. If the magnetic anisotropy is easy-axis, an in-plane field reorients the impurity spins and transforms spin-conserving scattering into spin-flip. The critical temperature is enhanced if the induced magnetization of NbSe$_2$ has a substantial long-range component, as is the case for Cr ions.

cond-mat.supr-con

Tunneling magnetoresistance in MgO tunnel junctions with Fe-based leads in empirically corrected density functional theory

The minority-spin Fe/MgO interface states are at the Fermi level in density functional theory (DFT), but experimental evidence and GW calculations place them slightly higher in energy. This small shift can strongly influence tunneling magnetoresistance (TMR) in junctions with a thin MgO barrier and its dependence on the concentration of Co in the electrodes. Here, an empirical potential correction to DFT is introduced to shift the interface states up to match the tunnel spectroscopy data. With this shift, TMR in Fe/MgO/Fe junctions exceeds 800% and 3000% at 3 and 4 monolayers (ML) of MgO, respectively. We further consider the effect of alloying of the Fe electrodes with up to 30% Co or 10% V, treating them in the coherent potential approximation (CPA). Alloying with Co broadens the interface states and brings a large incoherent minority-spin spectral weight to the Fermi level. Alloying with V brings the minority-spin resonant states close to the Fermi level. However, in both cases the minority-spin spectral weight at the Fermi level resides primarily at the periphery of the Brillouin zone, which is favorable for spin filtering. Using convolutions of $\mathbf{k}_\parallel$-resolved barrier densities of states calculated in CPA, it is found that TMR is strongly reduced by alloying with Co or V but still remains above 500% at 4 ML of MgO up to 30% of Co or 5% V. At 5 ML, the TMR increases above 1000% in all systems considered. On the other hand, while TMR declines sharply with increasing bias up to 0.2 eV in the MTJ with pure Fe leads, it remains almost constant up to 0.5 eV if leads are alloyed with Co.

cond-mat.mtrl-sci

Exchange-driven spin Hall effect in anisotropic ferromagnets

Crystallographic anisotropy of the spin-dependent conductivity tensor can be exploited to generate transverse spin-polarized current in a ferromagnetic film. This ferromagnetic spin Hall effect is analogous to the spin-splitting effect in altermagnets and does not require spin-orbit coupling. First-principles screening of 41 non-cubic ferromagnets revealed that many of them, when grown as a single crystal with tilted crystallographic axes, can exhibit large spin Hall angles comparable with the best available spin-orbit-driven spin Hall sources. Macroscopic spin Hall effect is possible for uniformly magnetized ferromagnetic films grown on some low-symmetry substrates with epitaxial relations that prevent cancellation of contributions from different orientation domains. Macroscopic response is also possible for any substrate if magnetocrystalline anisotropy is strong enough to lock the magnetization to the crystallographic axes in different orientation domains.

cond-mat.mtrl-sci

Breakdown of the drift-diffusion model for transverse spin transport in a disordered Pt film

Spin accumulation and spin current profiles are calculated for a disordered Pt film subjected to an in-plane electric current within the nonequilibrium Green function approach. In the bulklike region of the sample, this approach captures the intrinsic spin Hall effect found in other calculations. Near the surfaces, the results reveal qualitative differences with the results of the widely used spin-diffusion model, even when the boundary conditions are modified to try to account for them. One difference is that the effective spin-diffusion length for transverse spin transport is significantly different from its longitudinal counterpart and is instead similar to the mean-free path. This feature may be generic for spin currents generated via the intrinsic spin-Hall mechanism because of the differences in transport mechanisms compared to longitudinal spin transport. Orbital accumulation in the Pt film is only significant in the immediate vicinity of the surfaces and has a small component penetrating into the bulk only in the presence of spin-orbit coupling, as a secondary effect induced by the spin accumulation.

cond-mat.mes-hall

Effect of interfacial intermixing on spin-orbit torque in Co/Pt bilayers

Using the first-principles non-equilibrium Green's function technique with supercell disorder averaging, we study the influence of interfacial intermixing on the spin-orbit torque in Co$\mid$Pt bilayers. Intermixing is modeled by inserting one or more monolayers of a disordered CoPt alloy between Co and Pt. Dampinglike torque is moderately enhanced by interfacial intermixing, while the fieldlike torque, which is small for abrupt interfaces, is strongly enhanced and becomes comparable to the dampinglike torque. The enhancement of the fieldlike torque is attributed to the interface between Co and the intermixed region. The planar Hall-like torque increases with intermixing but remains relatively small. The behavior of the torques is similar for bilayers with (111) and (001)-oriented interfaces. Strong dependence of the fieldlike torque on intermixing could provide a way to tune the fieldlike-to-dampinglike torque ratio by interface engineering.

cond-mat.mtrl-sci

First-principles calculations of spin-orbit torques in Mn$_2$Au/heavy-metal bilayers

Using the non-equilibrium Green's function technique, we calculate spin-orbit torques in a Mn$_2$Au/heavy-metal bilayer, where the heavy metal (HM) is W or Pt. Spin-orbit coupling (SOC) in the bulk of Mn$_2$Au generates strong fieldlike torquance, which is parallel on the two sublattices and scales linearly with the conductivity, and a weaker dampinglike torquance that is antiparallel on the two sublattices. Interfaces with W or Pt generate parallel dampinglike torques of opposite signs that are similar in magnitude to those in ferromagnetic bilayers and similarly insensitive to disorder. The dampinglike torque efficiency depends strongly on the termination of the interface and on the presence of spin-orbit coupling in Mn$_2$Au, suggesting that the dampinglike torque is not due solely to the spin-Hall effect in the HM layer. Interfaces also induce antiparallel fieldlike and dampinglike torques that can penetrate deep into Mn$_2$Au.

cond-mat.mtrl-sci

Voltage-controlled magnetic anisotropy in antiferromagnetic MgO-capped MnPt films

The magnetic anisotropy in MgO-capped MnPt films and its voltage control are studied using first-principles calculations. Sharp variation of the magnetic anisotropy with film thickness, especially in the Pt-terminated film, suggests that it may be widely tuned by adjusting the film thickness. In thick films the linear voltage control coefficient is as large as 1.5 and $-0.6$ pJ/Vm for Pt-terminated and Mn-terminated interfaces, respectively. The combination of a widely tunable magnetic anisotropy energy and a large voltage-control coefficient suggest that MgO-capped MnPt films can serve as a versatile platform for magnetic memory and antiferromagnonic applications.

cond-mat.mtrl-sci

Proximity-induced magnetization in graphene: Towards efficient spin gating

Gate-tunable spin-dependent properties could be induced in graphene at room temperature through magnetic proximity effect by placing it in contact with a metallic ferromagnet. Because strong chemical bonding with the metallic substrate makes gating ineffective, an intervening passivation layer is needed. Previously considered passivation layers result in a large shift of the Dirac point away from the Fermi level, so that unrealistically large gate fields are required to tune the spin polarization in graphene. We show that a monolayer of Au or Pt used as the passivation layer between Co and graphene brings the Dirac point closer to the Fermi level. In the \Co/\Pt/\Gr system the proximity-induced spin polarization in graphene and its gate control are strongly enhanced by the presence of a surface band near the Fermi level. Furthermore, the shift of the Dirac point could be eliminated entirely by selecting submonolayer coverage in the passivation layer. Our findings open a path towards experimental realization of an optimized two-dimensional system with gate-tunable spin-dependent properties.

cond-mat.mes-hall

Generalized magnetoelectronic circuit theory and spin relaxation at interfaces in magnetic multilayers

Spin transport at metallic interfaces is an essential ingredient of various spintronic device concepts, such as giant magnetoresistance, spin-transfer torque, and spin pumping. Spin-orbit coupling plays an important role in many such devices. In particular, spin current is partially absorbed at the interface due to spin-orbit coupling. We develop a general magnetoelectronic circuit theory and generalize the concept of the spin mixing conductance, accounting for various mechanisms responsible for spin-flip scattering. For the special case when exchange interactions dominate, we give a simple expression for the spin mixing conductance in terms of the contributions responsible for spin relaxation (i.e., spin memory loss), spin torque, and spin precession. The spin-memory loss parameter $δ$ is related to spin-flip transmission and reflection probabilities. There is no straightforward relation between spin torque and spin memory loss. We calculate the spin-flip scattering rates for N|N, F|N, F|F interfaces using the Landauer-Büttiker method within the linear muffin-tin orbital method and determine the values of $δ$ using circuit theory.

cond-mat.mes-hall