Nontrivial topology in condensed-matter systems enriches quantum states of matter to go beyond either the classification into metals and insulators in terms of conventional band theory or that of symmetry-broken phases by Landau’s order parameter framework. So far, focus has been on weakly interacting systems, and little is known about the limit of strong electron correlations. Heavy fermion systems are a highly versatile platform to explore this regime. Here we report the discovery of a giant spontaneous Hall effect in the Kondo semimetal that is noncentrosymmetric but preserves time-reversal symmetry. We attribute this finding to Weyl nodes—singularities of the Berry curvature—that emerge in the immediate vicinity of the Fermi level due to the Kondo interaction. We stress that this phenomenon is distinct from the previously detected anomalous Hall effect in materials with broken time-reversal symmetry; instead, it manifests an extreme topological response that requires a beyond-perturbation-theory description of the previously proposed nonlinear Hall effect. The large magnitude of the effect in even tiny electric and zero magnetic fields as well as its robust bulk nature may aid the exploitation in topological quantum devices. Significance States of matter are traditionally classified by their symmetry, as exemplified by the distinction between a solid and a liquid. Topological quantum phases, on the other hand, are harder to characterize, and still harder to identify. This is especially so in electronic systems with strong correlations. In this work, we uncover a purely electric-field-driven “giant” Hall response—orders of magnitude above expectation—in one such material and propose a mechanism whereby it is driven by strong correlations. Our results will enable the identification of electronic topological states in a broad range of strongly correlated quantum materials and may trigger efforts toward their exploitation in robust quantum electronics.
The photoluminescence from a Ga(AsBi) sample is investigated as a function of pump power and lattice temperature. The disorder-related features are analyzed using a Monte Carlo simulation technique. A two-scale approach is introduced to separately account for cluster localization and alloy disorder effects. The corresponding characteristic energy scales of 11 and 45 meV are deduced from the detailed comparison between experiment and simulation.
Supercells are often used in ab initio calculations to model compound alloys, surfaces, and defects. One of the main challenges of supercell electronic structure calculations is to recover the Bloch character of electronic eigenstates perturbed by disorder. Here we apply the spectral weight approach to unfolding the electronic structure of group III-V and II-VI semiconductor solid solutions. The illustrative examples include formation of donorlike states in dilute Ga(PN) and associated enhancement of its optical activity, direct observation of the valence band anticrossing in dilute GaAs:Bi, and a topological band crossover in ternary (HgCd)Te alloy accompanied by emergence of high-mobility Kane fermions. The analysis facilitates interpretation of optical and transport characteristics of alloys that are otherwise ambiguous in traditional first-principles supercell calculations.
21 July 2019 in The Journal of Physical Chemistry C
Degradation of hybrid halide perovskites under the influence of environmental factors impairs future prospects of using these materials as absorbers in solar cells. First principle calculations can be used as a guideline in search of new materials, provided we can rely on their predictive capabilities. We show that the instability of perovskites can be captured using ab initio total energy calculations for reactants and products augmented with additional thermodynamic data to account for finite temperature effects. Calculations suggest that the instability of CH3NH3PbI3 in moist environment is linked to the aqueous solubility of the CH3NH3I salt, thus making other perovskite materials with soluble decomposition products prone to degradation. Properties of NH3OHPbI3, NH3NH2PbI3, PH4PbI3, SbH4PbI3, CsPbBr3, and a new hypothetical SF3PbI3 perovskite are studied in the search for alternative solar cell absorber materials with enhanced chemical stability.