Related papers: Image-potential band-gap narrowing at a metal/semi…
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…
We develop the plasmon-pole approximation for an interacting electron gas confined in a semiconductor quantum wire. We argue that the plasmon-pole approximation becomes a more accurate approach in quantum wire systems than in higher…
The self-consistent GW band gaps are known to be significantly overestimated. We show that this overestimation is, to a large extent, due to the neglect of the contribution of the lattice polarization to the screening of the…
Gallium phosphide (GaP) is an indirect bandgap semiconductor used widely in solid-state lighting. Despite numerous intriguing optical properties---including large $\chi^{(2)}$ and $\chi^{(3)}$ coefficients, a high refractive index ($>3$),…
For measurements designed to accurately determine layer thickness, there is a natural trade-off between sensitivity to optical thickness and lateral resolution due to the angular ray distribution required for a focused beam. We demonstrate…
We present a many-body $GW$ formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab initio random phase approximation level. Our approach is…
An experimental evidence of subwavelength imaging with a "lens", which is a uniaxial negative permittivity wire medium slab, is reported. The slab is formed by gratings of long thin parallel conducting cylinders. Taking into account the…
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key in understanding material and device properties. The GW…
In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…
We observed and studied strong reduction of optical reflection from the surface of InP wafers after high-temperature annealing. The effect is observed over a wide range of the incident wavelengths, and in the transparency band of the…
Silicon direct bonding offers flexibility in the design and development of Si optics by allowing manufacturers to combine subcomponents with a potentially lossless and mechanically stable interface. The bonding process presents challenges…
The development of semiconductor electronics is shortly reviewed, beginning with the development of germanium devices (band gap $E_g=0.66$ eV) after world war II. Quickly a tendency to alternative materials with wider band gap became…
In a recent work, van Setten and coworkers have presented a carefully converged $G_0W_0$ study of 100 closed shell molecules [J. Chem. Theory Comput. 11, 5665 (2015)]. For two different codes they found excellent agreement to within few 10…
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…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…
In this letter we present band gaps of II-VI semiconductors, calculated by the full potential linearized augmented plane wave (FP-LAPW) method with the modified Becke-Johnson (mBJ) potential. The accuracy of the calculated results is…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
A wireless communication network is considered where any two nodes are connected if the signal-to-interference ratio (SIR) between them is greater than a threshold. Assuming that the nodes of the wireless network are distributed as a…
The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials. In the realm of theoretical spectroscopy, the GW method provides access to charged…
The formation of image-potential states at the interface between a graphene layer and a metal surface is studied by means of model calculations. An analytical one-dimensional model-potential for the combined system is constructed and used…