Related papers: Wavefunction-Free Approach for Predicting Nonlinea…
A Weyl semimetal is a three dimensional topological gapless phase. In the presence of strong enough disorder it undergoes a quantum transition towards a diffusive metal phase whose universality class depends on the range of disorder…
The subtle interplay of band topology and symmetry broken phase, induced by electron correlations, has immense contemporary relevance and potentially offers novel physical insights. Here, we demonstrate charge density wave (CDW) in bulk…
Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature materials to warm dense matter. Its accuracy critically depends…
While all media can exhibit first-order conductivity describing current linearly proportional to electric field, $E$, the second-order conductivity, $\sigma^{(2)}$ , relating current to $E^2$, is nonzero only when inversion symmetry is…
The topological Weyl semimetals with peculiar band structure exhibit novel nonlinear optical enhancement phenomena even for light at optical wavelengths. While many intriguing nonlinear optical effects were constantly uncovered in type-I…
The accurate prediction of electronic and optical properties in chalcopyrite semiconductors has been a persistent challenge for density functional theory (DFT) based approaches. Addressing this issue, we demonstrate that very accurate…
The development of high-performance electron sources requires theoretical frameworks that accurately link the microscopic electronic properties of cathode materials to their macroscopic photoemission observables. Here, we present a…
Weyl functions conveniently describe the evolution of wave coherences in periodic or quadratic potentials. In this work we use Weyl functions to study the ``Talbot-Lau effect'' in a time-domain matter-wave interferometer. A ``displacement…
Experimental studies have found unusual transport properties in Ce$_3$Bi$_4$Pd$_3$ which are potentially a consequence of the interplay between band-structure topology and electronic correlations. Based on these measurements, the existence…
Weyl semimetals, featuring massless linearly dispersing chiral fermions in three dimensions, provide an excellent platform for studying the interplay of electronic interactions and topology, and exploring new correlated states of matter.…
The recent discoveries of Dirac fermions in graphene and on the surface of topological insulators have ignited worldwide interest in physics and materials science. A Weyl semimetal is an unusual crystal where electrons also behave as…
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…
A possible connection between extremely large magneto-resistance and the presence of Weyl points has garnered much attention in the study of topological semimetals. Exploration of these concepts in transition metal phosphide WP2 has been…
The selective excitation of coherent phonons provides unique capabilities to control fundamental properties of quantum materials on ultrafast time scales. For instance, in the presence of strong electron-phonon coupling, the electronic band…
Considering a non-centrosymmetric, non-magnetic double Weyl semimetal (WSM) SrSi$_2$, we investigate the electron and hole pockets in bulk Fermi surface behavior that enables us to characterize the material as a type-I WSM. We study the…
Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their potential technological applications. Here, using density…
The emergence of a charge density wave (CDW) in a Weyl semimetal -- a correlated topological phase, is exceptionally rare in condensed matter systems. In this context, the quasi-one-dimensional type-III Weyl semimetal (TaSe$_4$)$_2$I…
Anomalous local photocurrent generation via second-order nonlinear and thermoelectric responses is a signature of many topological semimetals. The emergence of these photocurrents is inherently linked to symmetry breaking and anisotropy of…
The Weyl particle is the massless fermionic cousin of the photon. While no fundamental Weyl particles have been identified, they arise in condensed matter and meta-material systems, where their spinor nature imposes topological constraints…
We present a first principles theoretical study employing nonlinear response theory to investigate the d.c. photocurrent generated by linearly polarized light in the type-II Weyl semimetal TaIrTe4. We report the low energy spectrum of…