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Register a new userAn ab-initio study of circular photogalvanic effect in chiral multifold semimetals
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So far, the circular photogalvanic effect (CPGE) is the only possible quantized signal in Weyl semimetals. With inversion and mirror symmetries broken, Weyl and multifold fermions in band structures with opposite chiralities can stay at different energies and generate a net topological charge. Such kind of net topological charge can present as a quantized signal in the circular polarized light induced injection current. According to current theoretical understanding, RhSi and its counterparts are believed to be the most promising candidate for the experimental observation of the quantized CPGE. However, the real quantized signal was not experimentally observed to date. Since all the previous theoretical studies for the quantized CPGE were based on effective model but not realistic band structures, it should lose some crucial details that influence the quantized signal. The current status motives us to perform a realistic ab-initio study for the CPGE. Our result shows that the quantized value is very easy to be interfered by trivial bands related optic transitions, and an fine tuning of the chemical potential by doping is essential for the observation of quantized CPGE. This work performs the first ab-initio analysis for the quantized CPGE based on realistic electronic band structure and provides an effective way to solve the current problem for given materials.
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Weyl semimetals are gapless topological states of matter with broken inversion and/or time reversal symmetry, which can support unconventional responses to externally applied electrical, optical and magnetic fields. Here we report a new photogalvanic effect in type-II WSMs, MoTe2 and Mo0.9W0.1Te2, which are observed to support a circulating photocurrent when illuminated by circularly polarized light at normal incidence. This effect occurs exclusively in the inversion broken phase, where crucially we find that it is associated with a spatially varying beam profile via a new dispersive contribution to the circular photogalvanic effect (s-CPGE). The response functions derived for s-CPGE reveal the microscopic mechanism of this photocurrent, which are controlled by terms that are allowed in the absence of inversion symmetry, along with asymmetric carrier excitation and relaxation. By evaluating this response for a minimal model of a Weyl semimetal, we obtain the frequency dependent scaling behavior of this form of photocurrent. These results demonstrate opportunities for controlling photoresponse by patterning optical fields to store, manipulate and transmit information over a wide spectral range.
In this paper, the chiral Hall effect of strained Weyl semimetals without any external magnetic field is proposed. Electron-phonon coupling emerges in the low-energy fermionic sector through a pseudogauge potential. We show that, by using chiral kinetic theory, the chiral Hall effect appears as a response to a real time-varying electric field in the presence of structural distortion and it causes spatial chirality and charges separation in a Weyl system. We also show that the coupling of the electrons to acoustic phonons as a gapless excitation leads to emerging an optical absorption peak at $omega=omega_{el}$, where $omega_{el}$ is defined as a characteristic frequency associated with the pseudomagnetic field. We also propose the strain-induced planar Hall effect as another transport signature of the chiral-anomaly equation.
Noncentrosymmetric metals are anticipated to exhibit a $dc$ photocurrent in the nonlinear optical response caused by the Berry curvature dipole in momentum space. Weyl semimetals (WSMs) are expected to be excellent candidates for observing these nonlinear effects because they carry a large Berry curvature concentrated in small regions, i.e., near the Weyl points. We have implemented the semiclassical Berry curvature dipole formalism into an $ab~initio$ scheme and investigated the second-order nonlinear response for two representative groups of materials: the TaAs-family type-I WSMs and MoTe$_2$-family type-II WSMs. Both types of WSMs exhibited a Berry curvature dipole, in which type-II Weyl points are usually superior to the type-I because of the strong tilt. Corresponding nonlinear susceptibilities in several materials promise a nonlinear Hall effect in the $dc$ field limit, which is within the experimentally detectable range.
Relativistic band theoretical calculations reveal that intrinsic spin Hall conductivity in hole-doped archetypical semiconductors Ge, GaAs and AlAs is large $[sim 100 (hbar/e)(Omega cm)^{-1}]$, showing the possibility of spin Hall effect beyond the four band Luttinger Hamiltonian. The calculated orbital-angular-momentum (orbital) Hall conductivity is one order of magnitude smaller, indicating no cancellation between the spin and orbital Hall effects in bulk semiconductors. Furthermore, it is found that the spin Hall effect can be strongly manipulated by strains, and that the $ac$ spin Hall conductivity in the semiconductors is large in pure as well as doped semiconductors.
FeGe in the B20 phase is an experimentally well-studied prototypical chiral magnet exhibiting helical spirals, skyrmion lattices and individual skyrmions with a robust length of 70~nm. While the helical spiral ground state can be verified by first-principles calculations based on density functional theory, this feature size could not be reproduced even approximately. To develop a coherent picture of the discrepancy between experiment and theory, we investigate in this work the magnetic properties of FeGe from first-principles using different electronic-structure methods. We study atomistic as well as micromagnetic parameters describing exchange and Dzyaloshinskii-Moriya interactions, and discuss their subtle dependence on computational, structural, and correlation parameters. In particular, we quantify how these magnetic properties are affected by changes of the lattice parameter, different atomic arrangements, exchange and correlation effects, finite Fermi-function broadening, and momentum-space sampling. In addition, we use the obtained atomistic parameters to determine the corresponding Curie temperature, which agrees well with experiments. Our results indicate that the well-known and well-accepted relation between the micromagnetic parameters and the period of the helical structure, is not valid for FeGe. This calls for new experiments exploring the relation by measuring independently the spin stiffness, the spiralization and the period of the helical spin spiral.
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