Related papers: Hf defects in HfO2/Si
We investigate the disorder properties of two-dimensional hole gases in Ge/SiGe heterostructures grown on Ge wafers, using thick SiGe barriers to mitigate the influence of the semiconductor-dielectric interface. Across several…
Using hybrid density functional theory combined with a semiempirical van der Waals dispersion correction, we have investigated the structural and electronic properties of vacancies and self-interstitials in defective few-layer phosphorene.…
Non-magnetic impurities in an S=1/2 Heisenberg antiferromagnetic chain are studied using boundary conformal field theory techniques and finite-temperature quantum Monte Carlo simulations. We calculate the static structure function,…
Recent experimental observations indicate that bulk $Sc_2O_3$ (~200 nm thick), an insulator at room temperature and pressure, must act as a good electronic conductor during thermionic cathode operation, leading to the observed high emitted…
We report first principles modeling of quantum tunneling through amorphous HfO$_2$ dielectric layer of metal-oxide-semiconductor (MOS) nanostructures in the form of n-Si/HfO$_2$/Al. In particular we predict that chemically modifying the…
Two dimensional layered materials exhibit versatile electronic properties in their different phases. The intrinsic electronic properties of these materials can be modulated through doping or intercalation. In this study, we investigated the…
The dielectric environment surrounding semiconductors plays a crucial role in determining device performance, a role that becomes especially pronounced in atomically thin semiconductors where charge carriers are confined within a few atomic…
Transition metal (TM) defects in silicon carbide (SiC) are a promising platform in quantum technology, especially because some TM defects emit in the telecom band. We develop a theory for the interaction of an active electron in the…
Scattering of charge carriers and flicker noise in electrical transport are the central performance limiting factors in electronic devices, but their microscopic origin in molybdenum disulphide~(MoS$_2$)-based field effect transistors…
As silicon-based devices continue to shrink to the nanoscale, traps at the Si-SiO$_2$ interface pose increasing challenges to device performance. These traps reduce channel carrier mobility and shift threshold voltages in integrated…
We consider theoretically effects of random charged impurity disorder on the {\it quality} of high-mobility two dimensional (2D) semiconductor structures, explicitly demonstrating that the sample mobility is not necessarily a reliable or…
Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…
The formation energies and transition energy levels of native defects in hexagonal BN have been studied by first-principles calculations based on hybrid density functional theory (DFT) together with an empirical dispersion correction of…
The superconducting TMD 4Hb-TaS$_2$ consists of alternating layers of H and T structures, which in their bulk form are metallic and Mott-insulating, respectively. Recently, this compound has been proposed as a candidate chiral…
An instability of a diffusive Fermi liquid, indicative of a metal-insulator transition (expected to be of first order), arising solely from the competition between quenched disorder and short-ranged interparticle interactions is identified…
We report scanning tunneling microscopy studies of the local structural and electronic properties of the iron selenide superconductor K0.73Fe1.67Se2 with TC = 32K. On the atomically resolved FeSe surface, we observe well-defined…
We analyze Ge-related defects in Ge-doped SiO_2 using first-principles density functional techniques. Ge is incorporated at the level of ~ 1 mol % and above. The growth conditions of Ge:SiO_2 naturally set up oxygen deficiency, with vacancy…
We use ab-initio calculations to predict the thermal conductivity of cubic SiC with different types of defects. An excellent quantitative agreement with previous experimental measurements is found. The results unveil that B$_\mathrm{C}$…
In the high-transition-temperature (high-Tc) superconductors the pseudogap phase becomes predominant when the density of doped holes is reduced1. Within this phase it has been unclear which electronic symmetries (if any) are broken, what…
We investigate the effects of magnetic and nonmagnetic impurities on the two-dimensional surface states of three-dimensional topological insulators (TIs). Modeling weak and strong TIs using a generic four-band Hamiltonian, which allows for…