Related papers: Wavefunction-Free Approach for Predicting Nonlinea…

The quest for nonmagnetic Weyl semimetals with high tunability of phase has remained a demanding challenge. As the symmetry breaking control parameter, the ferroelectric order can be steered to turn on/off the Weyl semimetals phase, adjust…

Weyl semimetals are characterized by their bulk Weyl points -- conical band touching points that carry a topological monopole charge -- and Fermi arc states that span between the Weyl points on the surface of the material. Recently,…

Broadband, efficient and fast conversion of light to electricity is crucial for sensing and clean energy. Here we reveal the largest observed bulk photo-voltaic effect (BPVE), an intrinsic mechanism predicted to be ultrafast and exceed the…

It has recently been demonstrated that various topological states, including Dirac, Weyl, nodal-line, and triple-point semimetal phases, can emerge in antiferromagnetic (AFM) half-Heusler compounds. However, how to determine the AFM…

Charge-density waves (CDWs) in Weyl semimetals (WSMs) have been shown to induce an exotic axionic insulating phase in which the sliding mode (phason) of the CDW acts as a dynamical axion field, giving rise to a large positive…

Two-dimensional (2D) van der Waals ferroelectrics are recognized for enabling many applications, from memory and logic to neuromorphic computing, as well as transforming other materials to control electronic phase transitions and…

The circularly polarized photogalvanic effect (CPGE) is studied in chiral Weyl semimetals with short-ranged quenched disorder. Without disorder, the topological properties of chiral Weyl semimetals lead to the quantization of the CPGE,…

We construct an exactly solvable lattice model of a fractional Weyl semimetal (FWS). The low energy theory of this strongly interacting state is that of a Weyl semimetal built out of fractionally charged fermions. We show the existence of a…

Weyl semimetal (WSM) is expected to be an ideal spintronic material owing to its spin currents carried by the bulk and surface states with spin-momentum locking. A photocurrent generation in noncentrosymmetric WSM was also predicted owing…

Density functional theory (DFT) approaches have been ubiquitously used to predict topological order and non-trivial band crossings in real materials, like Dirac, Weyl semimetals and so on. However, use of less accurate exchange-correlation…

The photogalvanic effect -- a rectified current induced by light irradiation -- requires the intrinsic symmetry of the medium to be sufficiently low, which strongly limits candidate materials for this effect. In this work we explore how in…

We analyze possible nonlinear exciton-exciton correlation effects in the optical response of semiconductors by using a time-dependent density-functional theory (TDDFT) approach. For this purpose, we derive the nonlinear (third-order) TDDFT…

The journey of theoretical study on semiconductors is reviewed in a non-conventional way. We have started with the basic introduction of Hartree-Fock method and introduce the fundamentals of Density Functional Theory (DFT). From the oldest…

Weyl Fermions (WFs) in the type-II Weyl Semimetal (WSM) WTe$_2$ are difficult to resolve experimentally because the Weyl bands disperse in an extremely narrow region of the (E-k) space. Here, by using DFT-assisted high-resolution $^{125}$Te…

Time-dependent orbital-free density functional theory (TD-OFDFT) is an efficient ab-initio method for calculating the electronic dynamics of large systems. In comparison to standard TD-DFT, it computes only a single electronic state…

Results from spectral geometry such as Weyl's formula can be used to relate the thermodynamic properties of a free massless field to the spatial manifold on which it is defined. We begin by calculating the free energy in two cases:…

We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient…

MoTe$_2$ has recently attracted much attention due to the observation of pressure-induced superconductivity, exotic topological phase transitions, and nonlinear quantum effects. However, there has been debate on the intriguing structural…

We propose a method for broadband long-wavelength photodetection using the nonlinear Hall effect in non-centrosymmetric quantum materials. The inherently quadratic relation between transverse current and input voltage at zero magnetic field…

Dirac and Weyl nodal materials can host low-energy relativistic quasiparticles. Under strong magnetic fields, the topological properties of Dirac/Weyl materials can directly manifest through quantum Hall states. However, most Dirac/Weyl…