相关论文: Interplay between O defects and SiC stacking at th…
The high lattice mismatched SiC/Si(001) interface was investigated by means of combined classical and ab initio molecular dynamics. Among the several configurations analyzed, a dislocation network pinned at the interface was found to be the…
The observation of metallic behavior at the interface between insulating oxides has triggered worldwide efforts to shed light on the physics of these systems and clarify some still open issues, among which the dimensional character of the…
Titanium silicide is a key contact material in advanced three-dimensional semiconductor device architectures. Here, we examine the formation of ultrathin Ti-silicide on Si(100) using a combination of non-destructive in-situ and ex-situ ion…
We present the evidence of the low defect density at Ge/GeO$_2$ interfaces in terms of first-principles total energy calculations. The energy advantages of the atom emission from the Ge/GeO$_2$ interface to release the stress due to the…
Cylindrical interfaces occur in sheared or deformed emulsions and as biological or technological lipid monolayer or bilayer tubules. Like the corresponding spherical droplets and vesicles, these cylinder-like surfaces may host orientaional…
Defects in silicon carbide are of intense and increasing interest for quantum-based applications due to this material's properties and technological maturity. We calculate the multi-particle symmetry adapted wave functions of the negatively…
We use \textit{ab initio} calculations to estimate formation energies of cation (transition metal) antisite defects at oxide interfaces and to understand the basic physical effects that drive or suppress the formation of these defects.…
We present results of self-consistent, full-potential electronic structure calculations for slabs of hexagonal graphite with stacking faults and for slabs with one displaced surface layer. There are two types of stacking faults, which…
Newly discovered Bi-O-S compounds remain an enigma in attempts to understand their electronic properties. A recent study of Bi$_{4}$O$_{4}$S$_{3}$ has shown it to be a mixture of two phases, Bi$_{2}$OS$_{2}$ and Bi$_{3}$O$_{2}$S$_{3}$, the…
Silicides are used extensively in nano- and microdevices due to their low electrical resistivity, low contact resistance to silicon, and their process compatibility. In this work, the thermal interface conductance of TiSi$_2$, CoSi$_2$,…
Bismuth oxyselenide (Bi$_2$O$_2$Se), a novel quasi-2D charge-carrying semiconductor, is hailed as one of the best emerging platforms for the next generation semiconductor devices. Recent efforts on developing diverse Bi$_2$O$_2$Se…
Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
We have successfully demonstrated Si/GaAs p-n heterostructures using Al2O3 ultra-thin oxide interfacial layers. The band diagram and band offsets were investigated using X-ray photoelectron spectroscopy and confirm a small discontinuity in…
We examine the stacking order of multilayer graphene grown on the SiC$(000\bar{1})$ surface using low-energy electron diffraction and surface X-ray diffraction. We show that the films contain a high density of rotational stacking faults…
Silicon dioxide and silicon (SiO$_{2}$/Si) interface plays a very important role in semiconductor industry. However, at nanoscale, its interfacial thermal properties haven't been well understood so far. In this paper, we systematically…
The formation of conducting channels of Ti${}_4$O${}_7$ inside TiO${}_2$-based memristors is believed to be the origin for the change in electric resistivity of these devices. While the properties of the bulk materials are reasonably known,…
We report measurements of the temperature-dependent conductivity in a silicon metal-oxide-semiconductor field-effect transistor that contains sodium impurities in the oxide layer. We explain the variation of conductivity in terms of Coulomb…
Disorder, primarily in the form of oxygen vacancies, cation stoichiometry and atomic inter-diffusion, appear to play vital roles in the electronic and transport properties of the metallic electron liquid at the oxide hetero-interfaces.…
High resolution resistors capable of detecting minuscule currents are vital for advanced sensors, but existing off-shelf models struggle with inconsistent resistance under varying voltages. The underlying physics of this issue is rooted in…
We investigated stability and the electronic structure of extended defects including anti-site domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu$_2$ZnSnS$_4$ (CZTS) and Cu$_2$ZnSnSe$_4$ (CZTSe). Our hybrid…