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Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…
Energy states below the bandgap of a semiconductor, such as trap states or charge transfer states in organic donor acceptor blends, can contribute to light absorption. Due to their low number density or ultrasmall absorption cross-section,…
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…
We derive fundamental accuracy limits for distributed localization when a fusion center has access only to independently rate-distortion (RD)-optimally compressed versions of multi-sensor observations, under a line-of-sight propagation…
I present a theory of electron dynamics in semiconductors with slowly varying composition. I show that the frequency-dependent conductivity, required for the description of transport and optical properties, can be obtained from a knowledge…
The low gain avalanche detectors (LGADs) are thin sensors with fast charge collection which in combination with internal gain deliver an outstanding time resolution of about 30 ps. High collision rates and consequent large particle rates…
Capacitance measurement is a useful technique in studying quantum devices, as it directly probes the local particle charging properties, i.e. the system compressibility. Here we report one approach which can measure capacitance from mK to…
We investigate the electronic transport properties of semiconducting ($m$,$n$) carbon nanotubes (CNTs) on the mesoscopic length scale with arbitrarily distributed realistic defects. The study is done by performing quantum transport…
The first femtosecond carrier relaxation dynamics studies in heavy fermion compounds are presented. The carrier relaxation time shows a dramatic hundred-fold increase below the Kondo temperature revealing a dramatic sensitivity to the…
This paper applies analytical approximations for the luminescence of short period semiconductor superlattices and analyses the low density regime, demonstrating that the theory clearly connects with low density absorption with ratios of…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such defects in sp$^2$ carbon-based materials, we focus on the Stone-Wales defect and on…
A technique for measuring high-energy electrons using Si detectors of various thicknesses that are much smaller than the range of the examined electrons is presented. The advantages of the method are discussed on the basis of…
We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed…
We introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional…
Modern bandgap engineered electronic devices are typically made of multi-semiconductor multi-layer heterostructures that pose a major challenge to silicon-era characterization methods. As a result, contemporary bandgap engineering relies…
In this paper, we review and substantially develop the recently proposed "Microscopic Response Method", which has been devised to compute transport coefficients and especially associated temperature dependence in complex materials. The…
In finite-volume-based flow simulations, absorbing layers are widely used to reduce pressure wave reflections at boundaries of the computational domain. A disadvantage of absorbing layers is that they contain case-dependent parameters; thus…
RF reflectometry offers a fast and sensitive method for charge sensing and spin readout in gated quantum dots. We focus in this work on the implementation of RF readout in accumulation-mode gate-defined quantum dots, where the large…
A systematic procedure is presented for connecting short to long scales in LGT. Approximate decimations are used which can provide both upper and lower bounds on the partition function. Its exact value is then obtained by interpolation…