Related papers: Atomic scale localization of Kohn-Sham wavefunctio…
Quasi-two-dimensional molecular conductor $\lambda$-(BETS)$_2$GaCl$_4$ shows superconductivity (SC) below 5.5K, neighboring the dimer-type Mott insulating phase. To elucidate the origin of SC and its gap function, we carry out…
The structural, electronic, and adhesive properties of Cu/SiO$_2$ interfaces are investigated using first-principles density-functional theory within the local density approximation. Interfaces between fcc Cu and $\alpha$-cristobalite(001)…
The distribution of ions and their impact on the structure of electrolyte interfaces plays an important role in many applications. Interestingly, recent experimental studies have suggested the preferential accumulation of $SO_4^{2-}$ ions…
The control of recently observed spintronic effects in topological-insulator/ferromagnetic-metal (TI/FM) heterostructures is thwarted by the lack of understanding of band structure and spin texture around their interfaces. Here we combine…
A nitridation annealing process is well employed to reduce interface trap states that degrade the channel mobility of 4H-SiC/SiO${}_2$ metal-oxide-semiconductor field-effect transistor. In recent experiments, the existence of high N-atom…
The propagation of a surface acoustic wave (SAW) on GaAs/AlGaAs heterostructures is studied in the case where the two-dimensional electron gas (2DEG) is subject to a strong magnetic field and a smooth random potential with correlation…
A seemingly anomalous enhancement of electron mobility in strained silicon inversion layers at high sheet densities has exposed a conspicuous gap between device physics theory and experiment in recent years. We show that the root of this…
The metal-semiconductor contact is a major factor limiting the shrinking of transistor dimension to further increase device performance. In-plane edge contacts have the potential to achieve lower contact resistance due to stronger orbital…
In order to optimize the optoelectronic properties of novel solar cell architectures, such as the amorphous-crystalline interface in silicon heterojunction devices, we calculate and analyze the local microscopic structure at this interface…
Single-photon emitting point defects in semiconductors have emerged as strong candidates for future quantum technology devices. In the present work, we exploit crystalline particles to investigate relevant defect localizations, emission…
A method is proposed for studying wave and particle transport in disordered waveguide systems of dimension higher than unity by means of exact one-dimensionalization of the dynamic equations in the mode representation. As a particular case,…
Silicon carbide (SiC) is an attractive semiconductor material for applications in power electronic devices. However, fabrication of a high-quality SiC/SiO${}_2$ interface has been a challenge. It is well-known that there is a great…
A first-principle model is proposed to study the electrostatic properties of a double-gated silicon slab of nano scale in the framework of density functional theory. The applied gate voltage is approximated as a variation of the…
Transport properties of narrow two-dimensional conducting wires in which the electron scattering is caused by side edges' roughness have been studied. The method for calculating dynamic characteristics of such conductors is proposed which…
We present a novel approach to study the spin and symmetry electronic properties of buried interfaces using low-energy spin-resolved photoemission spectroscopy. We show that this method is sensitive to interfaces buried below more than 20ML…
Using particle-in-cell simulation technique, we investigate the plasma and ionization asymmetry, electron and ion energy distribution function in capacitive discharges excited by tailored waveforms. At a base frequency of 13.56 MHz, three…
We analyze the effect of low dimensionality on the electrical conductivity ({\sigma}) and Seebeck coefficient (S) in ultra-narrow Si nanowires (NWs) by employing atomistic considerations for the electronic structures and linearized…
Thin organic films and two-dimensional (2D) molecular assemblies on solid surfaces yield the potential for applications in molecular electronics, optoelectronics, catalysis, and sensing. These applications rely on the intrinsic electronic…
When a surface acoustic wave propagates on the surface of a GaAs semiconductor, coupling between electrons in the two-dimensional electron gas beneath the interface and the elastic host crystal through piezoelectric interaction will…
The nature and concentration of defects near niobium-silicon interfaces prepared with different silicon surface treatments were characterized using current-voltage (I-V), deep level transient spectroscopy (DLTS), and secondary ion mass…