Related papers: Length-gauge optical matrix elements in WIEN2k
Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…
Nonreciprocal devices that allow the light propagation in only one direction are indispensable in photonic circuits and emerging quantum technologies. Contemporary optical isolators and circulators, however, require large size or strong…
The oxide interface SrTiO3/LaAlO3 supports a 2D electron liquid displaying superconductivity and magnetism, while allowing for a continuous control of the electron density using a gate. Our recent measurements have shown a similar…
A recently developed quasi two-dimensional exact-exchange formalism within the framework of Density Functional Theory has been applied to a strongly inhomogeneous interacting electron gas, and the results were compared with state-of-the-art…
Finding novel atomically-thin heterostructures and understanding their characteristic properties are critical for developing better nanoscale optoelectronic devices. In this study, we investigate the electronic and optical properties of…
Light-manipulation of correlated electronic phases in solids offers the tantalizing prospect of realizing electronic devices operating at the ultrafast time-scale. In this context, the experimental realization of non-equilibrium transitions…
Bandgap engineering and quantum confinement in semiconductor heterostructures provide the means to fine-tune material response to electromagnetic fields and light in a wide range of the spectrum. Nonetheless, forming semiconductor…
Moir\'e materials formed in two-dimensional semiconductor heterobilayers are quantum simulators of Hubbard-like physics with unprecedented electron-density and interaction-strength tunability. Compared to atomic scale Hubbard-like systems,…
Twist-controlled moire superlattices (MS) have emerged as a versatile platform in which to realize artificial systems with complex electronic spectra. Bernal-stacked bilayer graphene (BLG) and hexagonal boron nitride (hBN) form an…
Finding alternative optoelectronic mechanisms that overcome the limitations of conventional semiconductor devices is paramount for detecting and harvesting low-energy photons. A highly promising approach is to drive a current from the…
Due to their atomic layer thickness, direct bandgap, mechanical robustness and other superior properties, transition metal dichalcogenides (TMDCs) monolayers are considered as an attractive alternative to graphene for diverse optoelectronic…
We have investigated the electrical transport properties of Dirac electrons in a monolayer graphene sheet in the presence of a perpendicular magnetic field that is modulated weakly and periodically along one direction.We find that the…
Nanophotonics research has focused recently on the ability of non-linear optical processes to mediate and transform optical signals in a myriad of novel devices, including optical modulators, transducers, color filters, photodetectors,…
Moir\'e superlattices host a rich variety of correlated topological states, including interaction-driven integer and fractional Chern insulators. A common approach to study interacting ground states at integer fillings is the Hartree-Fock…
In this work, a trial understanding for the physics underling the construction of exchange (hopping) matrix $\mathbf{E}$ in Heisenberg model (tight binding model) for 2D materials is done. It is found that the $\mathbf{E}$ matrix describes…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual exponential decrease at large…
We propose a hexagonal optical lattice system with spatial variations in the hopping matrix elements. Just like in the valley Hall effect in strained Graphene, for atoms near the Dirac points the variations in the hopping matrix elements…
Recent experiments have demonstrated efficient spin transfer across layers in the van der Waals heterostructure composed of WTe2 and Fe3GeTe2, signaling a potential breakthrough in developing all-van der Waals spin-orbit torque devices.…
We calculate $\partial\mu/\partial n$ in extrinsic graphene as a function of carrier density $n$ at zero temperature by obtaining the electronic self-energy within the Hartree-Fock approximation. The exchange-driven Dirac-point logarithmic…