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Aris Alexandradinata

Publications and source records attributed to Aris Alexandradinata.

4 recordsLinked to original sources

Photogalvanic currents from first-principles real-time density-matrix dynamics

The photogalvanic effect is the generation of a second-order direct current by illumination of a non-centrosymmetric material. In this work, we develop a first-principles real-time density matrix (FPDMD) formalism enabling the calculations of the photogalvanic current in all time regimes: transient and steady. Unlike past \textit{ab-initio} studies which focused only on the photo-excitation process, our first-principles theory framework encodes all quantum scatterings (intra/interband relaxation and electron-hole recombination) mediated by bosons (photons and phonons), and is thus predictive of photogalvanic currents in realistic materials. In particular, for the linear photogalvanic effect, we find electron scatterings mediated by phonons contribute significantly to the shift current for prototypical piezoelectrics like BaTiO$_3$. For the circular photogalvanic effect, we develop a self-consistent theory of a steady injection current that incorporates realistic scattering mediated by phonons. Our formulation developed for photogalvanic current elucidates its connection with fundamental quantum-geometric quantities such as the Berry curvature and the quantum metric. A phonon-based explanation is proposed for the bipolar transient photogalvanic current observed by the THz emission spectroscopy.

cond-mat.mtrl-sci

Delicate Wannier insulators

The defining feature of topological insulators is that their valence states are not continuously deformable to a suitably defined atomic limit without breaking the symmetry or closing the energy gap. When the atomic limit is given by symmetric exponentially-localized Wannier orbitals, one finds stable and fragile topological insulators characterized by robust bulk-boundary correspondence. More recently, delicate topological insulators (DIs) have been introduced, whose metallic states are guaranteed only at sharply terminated edges and surfaces. Although Wannierizable, their Wannier orbitals necessarily span multiple unit cells, thus refining the notion of the atomic limit. In this work, we extend delicate topological invariants from Bloch states to hybrid Wannier functions. The resulting models, dubbed delicate Wannier insulators (DWIs), are deformable to unicellular atomic limit in the absence of edges and surfaces; nevertheless, they exhibit obstructions to such deformations as well as topological boundary states in the presence of sharply terminated hinges and corners. We present a layering construction that allows us to elevate a DI in $d$ dimensions into a DWI in $(d\,{+}\,1)$ dimensions. We illustrate the phenomenology of DWIs by deploying the layering construction on three concrete models.

cond-mat.mes-hall

Tilted Dirac Fermions

We introduce the notion of a band-inverted, topological semimetal in two-dimensional nonsymmorphic crystals. This notion is materialized in the monolayers of MTe$_2$ (M $=$ W, Mo) if spin-orbit coupling is neglected. We characterize the Dirac band touching topologically by the Wilson loop of the non-Abelian Berry gauge field. An additional feature of the Dirac cone in monolayer MTe$_2$ is that it tilts over in a Lifshitz transition to produce electron and hole pockets, a type-II Dirac cone. These pockets, together with the pseudospin structure of the Dirac electrons, suggest a unified, topological explanation for the recently-reported, non-saturating magnetoresistance in WTe$_2$, as well as its circular dichroism in photoemission. We complement our analysis and first-principle bandstructure calculations with an $\textit{ab-initio}$-derived-derived tight-binding model for the WTe$_2$ monolayer.

cond-mat.mes-hall

Spin polarization and texture of the Fermi arcs in the Weyl Fermion semimetal TaAs

A Weyl semimetal is a new state of matter that host Weyl fermions as quasiparticle excitations. The Weyl fermions at zero energy correspond to points of bulk band degeneracy, Weyl nodes, which are separated in momentum space and are connected only through the crystal's boundary by an exotic Fermi arc surface state. We experimentally measure the spin polarization of the Fermi arcs in the first experimentally discovered Weyl semimetal TaAs. Our spin data, for the first time, reveal that the Fermi arcs' spin polarization magnitude is as large as 80% and possesses a spin texture that is completely in-plane. Moreover, we demonstrate that the chirality of the Weyl nodes in TaAs cannot be inferred by the spin texture of the Fermi arcs. The observed non-degenerate property of the Fermi arcs is important for the establishment of its exact topological nature, which reveal that spins on the arc form a novel type of 2D matter. Additionally, the nearly full spin polarization we observed (~80%) may be useful in spintronic applications.

cond-mat.mtrl-sci