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First-principles techniques for electronic transport property prediction have seen rapid progress in recent years. However, it remains a challenge to model heterostructures incorporating variability due to fabrication processes.…
The accurate prediction of the electronic properties of materials at a low computational expense is a necessary conditions for the development of effective high-throughput quantum-mechanics (HTQM) frameworks for accelerated materials…
While Electrical Impedance Tomography (EIT) has found many biomedicine applications, a better resolution is needed to provide quantitative analysis for tissue engineering and regenerative medicine. This paper proposes an impedance-optical…
Silver films were deposited at room temperature onto H-passivated Si(111) surfaces. Their electronic properties have been analyzed by angle-resolved photoelectron spectroscopy. Submonolayer films were semiconducting and the onset of…
Transition Edge Sensors (TESs) are characterized by the intrinsic figure of merit to resolve both the energy and the statistical distribution of the incident photons. These properties lead TES devices to become the best single photon…
Flexible and transparent electronics presents a new era of electronic technologies. Ubiquitous applications involve wearable electronics, biosensors, flexible transparent displays, radio-frequency identifications (RFIDs), etc.Zinc oxide…
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered in stellar interiors and inertial confinement fusion…
The discovery of synthetically accessible organic semiconductors with exceptional performance remains a critical bottleneck in materials science. While these materials offer compelling advantages - structural modularity, mechanical…
Zintl compounds have been extensively studied for their outstanding thermoelectric properties, but their electronic structure remains largely unexplored. Here, we present a detailed investigation of the electronic structure of the…
We demonstrate that the electronic properties of epitaxial SmN thin films can be effectively tuned during growth by controlling the synthesis parameters. By carefully adjusting these parameters, we are able to drive SmN from an insulating…
The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In…
The non-destructive characterization of nanoscale devices, such as those based on semiconductor nanowires, in terms of functional potentials is crucial for correlating device properties with their morphological/materials features, as well…
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…
The purpose of this study was to show how advanced concepts of compact, lossless and "Time Of Flight" (TOF) capable electronics similar to those foreseen for the LHC and ILC experiments could be fairly and easily transferred to the medical…
Studies of different experimental groups that explore the properties of a two-dimensional electron gas in silicon semiconductor systems ((100) Si metal-oxide-semiconductor field-effect transistors (MOSFETs) and (100) SiGe/Si/SiGe quantum…
We investigate the electric and thermoelectric transport coefficients of nanocomposites using the Non-Equilibrium Greens Function (NEGF) method, which can accurately capture the details of geometry and disorder in these structures. We…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
Phase engineering by strains in 2D semiconductors is of great importance for a variety of applications. Here, we present a study of strain induced ferroelectric (FE) transition on bismuth oxyselenide (Bi$_2$O$_2$Se) films, a…
In our article we report first quantitative measurements of imaging performance for the current generation of hybrid pixel detector, Medipix3, as direct electron detector. Utilising beam energies of 60 & 80 keV, measurements of modulation…
Various methods going beyond density-functional theory (DFT), such as DFT+U, hybrid functionals, meta-GGAs, GW, and DFT-embedded dynamical mean field theory (eDMFT), have been developed to describe the electronic structure of correlated…