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Leonid S. Taran

Publications and source records attributed to Leonid S. Taran.

3 recordsLinked to original sources

Dzyaloshinskii-Moriya-driven instabilities in square-kagome quantum antiferromagnets

Decorated square-kagome quantum antiferromagnets provide a natural setting in which strong frustration, lattice decoration, and spin-orbit-induced anisotropy compete on comparable energy scales. Here we show that in Na$_6$Cu$_7$BiO$_4$(PO$_4$)$_4$Cl$_3$ the coupling ($J_{10}$) which links the decorating Cu(3) sites to the square-kagome backbone, stabilizes the gapped quantum-paramagnetic regime, while symmetry-allowed Dzyaloshinskii-Moriya (DM) interactions systematically suppress the minimum spinon gap $Δ_{\mathrm{spinon}}$ and drive the system toward magnetic condensation. To establish this, we combine ab initio calculation of the DM vectors with a generalized Schwinger-boson self-consistent mean-field theory that treats singlet and triplet hopping/pairing channels on equal footing. As a benchmark, the isotropic square-kagome Heisenberg model exhibits four competing low-energy saddle points distinguished by their Wilson-loop fluxes and by characteristic static and dynamical structure-factor fingerprints. A minimal DM perturbation does not qualitatively reshape this competing landscape, but already enhances the tendency towards order. For the realistic decorated Hamiltonian, finite-size scaling of $Δ_{\mathrm{spinon}}$ together with momentum-resolved structure factors identifies $J_{10}$ (exchange with decorating Cu) as the control parameter of the gapped regime and shows that the full symmetry-allowed DM pattern shifts the system further toward condensation. Our results place Na$_6$Cu$_7$BiO$_4$(PO$_4$)$_4$Cl$_3$ in close proximity to a magnetic instability and provide experimentally testable predictions for anisotropy-enhanced soft modes in decorated square-kagome materials.

cond-mat.str-el

Sr$_2$NbO$_4$: A $4d$ analogue of the layered perovskite Sr$_2$VO$_4$

This work focuses on the layered perovskite Sr$_2$NbO$_4$, a 4$d$ analogue of Sr$_2$VO$_4$, which remains an unsolved puzzle with a possible intriguing hidden magnetic order. Using density functional theory (DFT) calculations, we demonstrate the robust thermodynamic stability and exfoliability of Sr$_2$NbO$_4$, suggesting potential applications as a 2D material. Imperfect Fermi surface nesting indicates instabilities that may drive symmetry lowering, charge/orbital density waves, or superconductivity. Dynamical mean-field theory (DMFT) calculations reveal moderate mass renormalization $(m^*/m\sim1.3)$ and an itinerant character of magnetism with strong longitudinal spin fluctuations. The exchange interaction is dominated by in-plane ferromagnetic coupling with much weaker interlayer antiferromagnetic exchange.

cond-mat.str-el

Electronic structure of zaykovite Rh$_3$Se$_4$, prediction and analysis of physical properties of related materials: Pd$_3$Se$_4$, Ir$_3$Se$_4$, and Pt$_3$Se$_4$

In this work, we explore the electronic properties and chemical bonding in the recently discovered mineral zaykovite, the first natural rhodium selenide Rh$_3$Se$_4$. We comprehensively studied the bulk electronic structure, hybridization of rhodium and selenium orbitals, and the influence of spin-orbit interaction on the electronic spectrum, as well as inspected its topological properties. Besides, we investigated the surface electronic structure of zaykovite and revealed the anisotropic Rashba-type spin splitting in the surface states. In addition, using calculations of the phonon spectra and enthalpy of formation we predicted the family of similar selenides based on other $4d$ and $5d$ transition metals such as Ir, Pd, and Pt. The structural and electronic properties of these materials are discussed.

cond-mat.mtrl-sci