相关论文: Efficient GW calculations for metals from an accur…
The rigorous coupled-wave analysis (RCWA) is one of the most successful and widely used methods for modeling periodic optical structures. It yields fast convergence of the electromagnetic far-field and has been adapted to model various…
Using infrared spectroscopy, we investigate bottom gated ABA-stacked trilayer graphene subject to an additional environment-induced p-type doping. We find that the Slonczewski-Weiss-McClure tight-binding model and the Kubo formula reproduce…
Polarizers and polarization selective resonant cavities (e.g., ring resonators, gratings), are key components for applications to photography, coherent optical detection, polarization-division-multiplexing, optical sensing and liquid…
$GW$ is an accurate method for computing electron addition and removal energies of molecules and solids. In a conventional $GW$ implementation, however, its computational cost is $O(N^4)$ in the system size $N$, which prohibits its…
Within the framework of many-body perturbation theory (MBPT) integrated with density functional theory (DFT), a novel defect-subspace projection GW method, the so-called p-GW, is proposed. By avoiding the periodic defect interference…
Within the framework of the full potential projector-augmented wave methodology, we present a promising low-scaling $GW$ implementation. It allows for quasiparticle calculations with a scaling that is cubic in the system size and linear in…
With the technology of artificial defects creating, we can tune the band structure and transport properties of many two-dimensional (2D) layered materials. One prototype materials system is the antidoted graphene sheet, where periodical…
Enhanced optical absorption in two-dimensional (2D) materials has recently moved into the focus of nanophotonics research. In this work, we present a gain-assisted method to achieve critical coupling and demonstrate the maximum absorption…
Screening mechanisms are essential components in many modified gravity theories, which satisfy local tests of General Relativity (GR) and address cosmic acceleration on cosmological scales. The strong gravitational lensing of gravitational…
A new method for estimation of intragranular strain fields in polycrystalline materials based on scanning three-dimensional X-ray diffraction data (scanning-3DXRD) is presented and evaluated. Given an apriori known anisotropic compliance,…
Inelastic electron tunneling provides a low-energy pathway for the excitation of surface plasmons and light emission. We theoretically investigate tunnel junctions based on metals and graphene. We show that graphene is potentially a highly…
2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…
Functionals of the meta-generalized gradient approximation (MGGA) are nowadays widely used in chemistry and solid-state physics for the simulation of electronic systems like molecules, solids, or surfaces. Due to their dependency on the…
The GW Approximation is an ab initio approach to calculating electronic structure which avoids using the Local Density (LDA) Approximation, the Generalized Gradient (GGA) Approximation, or similar density functionals. It goes beyond the…
The effective work-function of metal electrode is one of the major factors to determine the threshold voltage of metal/oxide/semiconductor junction. In this work, we demonstrate experimentally that the effective work-function of Aluminum…
Accumulative Roll Bonding(ARB) process was used to develop few-layer graphene nano platelets reinforced aluminum matrix (GNPs/Al) composite in the form of sheets. Annealed Al sheets were ARB processed up to 6 pass along with coating of…
Graphene photonics has emerged as a promising platform for providing desirable optical functionality. However, graphene's monolayer-scale thickness fundamentally restricts the available light matter interaction, posing a critical design…
Laboratory measurements are used to constrain the dielectric tensor for graphite, from microwave to X-ray frequencies. The dielectric tensor is strongly anisotropic even at X-ray energies. The discrete dipole approximation is employed for…
Monolayer and multilayer graphene are promising materials for applications such as electronic devices, sensors, energy generation and storage, and medicine. In order to perform large-scale atomistic simulations of the mechanical and thermal…
The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired physical properties. In this work, we propose algorithms and…