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The nanostructure of hydrogenated amorphous silicon (a Si:H) is studied by a combination of small-angle X-ray (SAXS) and neutron scattering (SANS) with a spatial resolution of 0.8 nm. The a-Si:H materials were deposited using a range of…
The bare and hydrogen-covered diamond (100) surfaces were investigated through pseudopotential density-functional calculations within the local-density approximation. Different coverages, ranging from one to two, were considered. These…
Many strongly correlated systems exhibit strange metallic behavior in certain parameter regimes characterized by anomalous transport properties that are irreconcilable with a Fermi-liquid-like description in terms of quasiparticles. The…
The electronic and optical properties of the paradigmatic F4TCNQ-doped pentacene in the low-doping limit are investigated by a combination of state-of-the-art many-body \emph{ab initio} methods accounting for environmental screening…
4H silicon carbide (SiC) polytype is preferred over other SiC polytypes for high-power, high-voltage, and high-frequency applications due to its superior electrical, thermal, and structural characteristics. In this manuscript, we provide a…
We have performed longitudinal magnetoresistance measurements on heavily n-doped silicon for donor concentrations exceeding the critical value for the metal-non-metal transition. The results are compared to those from a many-body theory…
Two-dimensional (2D) diamond has aroused tremendous interest in nanoelectronics and optoelectronics, owing to its superior properties and flexible characteristics compared to bulk diamond. Despite significant efforts, great challenges lie…
The goal of this paper is to highlight several issues which are most crucial for the understanding of the ``metal-insulator transition'' in two dimensions. We discuss some common problems in interpreting experimental results on high…
Mg2NiH4 is a promising hydrogen storage material with fast (de)hydrogenation kinetics. Its hydrogen desorption enthalpy, however, is too large for practical applications. In this paper we study the effects of transition metal doping by…
The silicon-vacancy (SiV) and nitrogen-vacancy (NV) centers in diamond are commonly regarded as prototypical defects for solid-state quantum information processing. Here we show that when silicon and nitrogen are simultaneously introduced…
Two-dimensional transition metal dichalcogenides (TMDCs) have been extensively investigated due to their tunable properties. In this work, density functional theory (DFT) is employed to investigate the adsorption behavior and sensing…
We study the effects of bismuth doping on the crystal structure and phase transitions in single crystals of the perovskite semiconductor methylammonium lead tribromide, MAPbBr3. By measuring temperature-dependent specific heat capacity (Cp)…
Context. Hydrogenated amorphous carbons, a-C:H, can incorporate a variety of heteroatoms, which can lead to interesting effects. Aims. To investigate the doping of interstellar a-C:H grains with, principally, Si, O, N and S atoms within the…
Antimonene is a recently discovered two-dimensional semiconductor with exceptional environmental stability, high carrier mobility, and strong spin-orbit interactions. In combination with electric field, the latter provides an additional…
In this paper, we explore the effect of H and its bonding configurations on the defect state density and orbital localization of hydrogenated amorphous Si (a-Si:H)/crystalline Si (c-Si) heterostructures using density functional theory (DFT)…
CuGaS2 films grown by physical vapour deposition have been studied by photoluminescence (PL) spectroscopy, using excitation intensity and temperature dependent analyses. We observe free and bound exciton recombinations, three…
It has been observed that impurity doping and/or ion-beam-induced damage in high $T_{c}$ superconductors cause a metal-insulator transition and thereby suppress the critical temperature. Based on our recent theory of the weak localization…
The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…
Diamond and diamond-like carbon (DLC) are used as coating materials for numerous applications, ranging from biomedicine to tribology. Recently, it has been shown that the hydrophilicity of the carbon films can be enhanced by silicon doping,…
Silicon Carbide (SiC) demonstrates significant potential for high-energy particle detection in complex radiation environments due to its exceptional radiation resistance, excellent environmental adaptability, and fast response time.…