相关论文: Bulk and Surface Tunneling Hydrogen Defects in Alu…
Ever more stringent regulations on greenhouse gas emissions from transportation motivate efforts to revisit materials used for vehicles. High-strength Al-alloys often used in aircrafts could help reduce the weight of automobiles, but are…
HII regions, ionized nebulae where massive star formation has taken place, exhibit a wealth of emission lines that are the fundamental basis for estimating the chemical composition of the Universe. For more than 80 years, a discrepancy of…
At the few-atom-thick limit, transition metal dichalcogenides (TMDs) exhibit a host of attractive electronic optical, and structural properties. The possibility to pattern these properties has a great impact on applied and fundamental…
Near-surface nitrogen-vacancy centres are critical to many diamond-based quantum technologies such as information processors and nanosensors. Surface defects play an important role in the design and performance of these devices. The…
Substitutional defects in a cubic symmetry (such as a lithium defect in a KCl host crystal) can be modeled appropriately by an eight-state-system. Usually this tunneling degree of freedom is approximated by a two-level-system. We…
Determining the properties of solar-like oscillating stars can be subject to many biases. A particularly important example is the helium-mass degeneracy, where the uncertainties regarding the internal physics can cause a poor determination…
The transport of excess protons and hydroxide ions in water underlies numerous important chemical and biological processes. Accurately simulating the associated transport mechanisms ideally requires utilizing ab initio molecular dynamics…
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…
The quantum states and thermodynamical properties of the Te vacancy in CdTe are addressed by first principles calculations, including the supercell size and quasiparticle corrections. It is shown that the 64-atoms supercell calculation is…
Ceramic materials are widely used in high-strain-rate applications due to their exceptional strength-to-weight ratio. However, under these extreme conditions, spall failure becomes a critical concern, which is driven by a large hydrostatic…
We devise a scheme to characterize tunneling of an excess electron shared by a pair of tunnel-coupled dangling bonds on a silicon surface -- effectively a two-level system. Theoretical estimates show that the tunneling should be highly…
Hydrogen segregation to vacancies in the surface and subsurface layers of (111) and (100) surfaces of Pd is studied in the density functional theory (DFT) approach. Adsorption energies and configurations of various clusters of H atoms at…
We study by means of first-principles pseudopotential method the coordination defects in a-Si and a-Si:H, also in their formation and their evolution upon hydrogen interaction. An accurate analysis of the valence charge distribution and of…
We demonstrate the existence of atomically-sized topological solitons in a quasi one-dimensional charge density wave system: indium atomic wires on Si(111). Performing joint scanning tunneling microscopy and density-functional calculations,…
We evaluate tunneling rates into/from a voltage biased quantum wire containing weak backscattering defect. Interacting electrons in such a wire form a true nonequilibrium state of the Luttinger liquid (LL). This state is created due to…
Tunneling characteristics of a two-dimensional lateral tunnel junction (2DLTJ) are reported. A pseudogap on the order of Coulomb energy is detected in the tunneling density of states (TDOS) when two identical two-dimensional electron…
By using a Reverse Monte Carlo technique aimed at the inverse problem in the analysis of the H+D Ly-a absorption from QSO spectra we have estimated the physical parameters of the gas and the large-scale line of sight velocity structure…
We explore the phase structure for defect theories in full generality using the gauge/gravity correspondence. On the gravity side, the systems are constructed by introducing M (probe) D(p+4-2k)-branes in a background generated by N…
Superconducting integrated circuits have demonstrated a tremendous potential to realize integrated quantum computing processors. However, the downside of the solid-state approach is that superconducting qubits suffer strongly from energy…
Motivated by unexpected morphologies of the emerging liquid phase (channels, bulges, droplets) at the edge of thin, melting alkane terraces, we propose a new heterogeneous nucleation pathway. The competition between bulk and interfacial…