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Sergii Khmelevskyi

Publications and source records attributed to Sergii Khmelevskyi.

23 records · Page 2Linked to original sources

Anisotropy of magnetic interactions and symmetry of the order parameter in unconventional superconductor Sr$_{2}$RuO$_{4}$

Sr$_2$RuO$_4$ is the best candidate for spin-triplet superconductivity, an unusual and elusive superconducting state of fundamental importance. In the last three decades Sr$_2$RuO$_4$ has been very carefully studied and despite its apparent simplicity when compared with strongly correlated high-$T_{c}$ cuprates, for which the pairing symmetry is understood, there is no scenario that can explain all the major experimental observations, a conundrum that has generated tremendous interest. Here we present a density-functional based analysis of magnetic interactions in Sr$_{2}$RuO$_{4}$ and discuss the role of magnetic anisotropy in its unconventional superconductivity. Our goal is twofold. First, we access the possibility of the superconducting order parameter rotation in an external magnetic field of 200 Oe, and conclude that the spin-orbit interaction in this material is several orders of magnitude too strong to be consistent with this hypothesis. Thus, the observed invariance of the Knight shift across $T_{c}$ has no plausible explanation, and casts doubt on using the Knight shift as an ultimate litmus paper for the pairing symmetry. Second, we propose a quantitative double-exchange-like model for combining itinerant fermions with an anisotropic Heisenberg magnetic Hamiltonian. This model is complementary to the Hubbard-model-based calculations published so far, and forms an alternative framework for exploring superconducting symmetry in Sr$_{2}$RuO$_{4}.$ As an example, we use this model to analyze the degeneracy between various $p-$triplet states in the simplest mean-field approximation, and show that it splits into a single and two doublets with the ground state defined by the competition between the "Ising" and "compass" anisotropic terms.

cond-mat.supr-con↗

Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO$_3$

In systems where electrons form both dispersive bands and small local spins, we show that changes of the spin configuration can tune the bands through a Lifshitz transition, resulting in a continuous metal-insulator transition associated with a progressive change of the Fermi surface topology. In contrast to a Mott-Hubbard and Slater pictures, this spin-driven Lifshitz transition appears in systems with small electron-electron correlation and large hybridization. We show that this situation is realized in 5$d$ distorted perovskites with an half-filled $t_{2g}$ bands such as NaOsO$_3$, where the strong $p-d$ hybridization reduces the local moment, and spin-orbit coupling causes a large renormalization of the electronic mobility. This weakens the role of electronic correlations and drives the system towards an itinerant magnetic regime which enables spin-fluctuations.

cond-mat.str-el↗

Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4

We put forward a scheme to study the anisotropic magnetic couplings in Sr2IrO4 by mapping fully relativistic constrained noncollinear density functional theory including an on-site Hubbard U correction onto a general spin model Hamiltonian. This procedure allows for the simultaneous account and direct control of the lattice, spin and orbital interactions within a fully ab initio scheme. We compute the isotropic, single site anisotropy and Dzyaloshinskii-Moriya (DM) coupling parameters, and clarify that the origin of the canted magnetic state in Sr2IrO4 arises from the interplay between structural distortions and the competition between isotropic exchange and DM interactions. A complete magnetic phase diagram with respect to the tetragonal distortion and the rotation of IrO6 octahedra is constructed, revealing the presence of two types of canted to collinear magnetic transitions: a spin-flop transition with increasing tetragonal distortion and a complete quenching of the basal weak ferromagnetic moment below a critical octahedral rotation.

cond-mat.str-el↗

Antiferromagnetism in Ru2MnZ (Z=Sn, Sb, Ge, Si) full Heusler alloys: effects of magnetic frustration and chemical disorder

We present systematic theoretical investigations to explore the microscopic mechanisms leading to the formation of antiferromagnetism in Ru2MnZ (Z= Sn,Sb,Ge,Si) full Heusler alloys. Our study is based on first-principles calculations of inter-atomic Mn-Mn exchange interactions to set up a suitable Heisenberg spin-model and on subsequent Monte-Carlo simulations of the magnetic properties at finite temperature. The exchange interactions are derived from the paramagnetic state, while a realistic account of long-range chemical disorder is made in the framework of the Coherent Potential Approximation. We find that in case of the highly ordered alloys (Z=Sn and Sb) the exchange interactions derived from the perfectly ordered L21 structure lead to Néel temperatures in excellent agreement with the experiments, whereas, in particular, in case of Si the consideration of chemical disorder is essential to reproduce the experimental Néel temperatures. Our numerical results suggest that improving a heat treatment of the samples to suppress the intermixing between the Mn and Si atoms, the Néel temperature of the Si-based alloys can potentially be increased by more than 30%. Furthermore, we show that in strongly disordered Ru2MnSi alloys a distinct change in the antiferromagnetic ordering occurs.

cond-mat.mtrl-sci↗

Spin-orbit coupling induced anisotropy effects in bimetallic antiferromagnets: A route towards antiferromagnetic spintronics

Magnetic anisotropy phenomena in bimetallic antiferromagnets Mn$_2$Au and MnIr are studied by first-principles density functional theory calculations. We find strong and lattice-parameter dependent magnetic anisotropies of the ground state energy, chemical potential, and density of states, and attribute these anisotropies to combined effects of large moment on the Mn 3$d$ shell and large spin-orbit coupling on the 5$d$ shell of the noble metal. Large magnitudes of the proposed effects can open a route towards spintronics in compensated antiferromagnets without involving ferromagnetic elements.

cond-mat.mtrl-sci↗