相关论文: Split-off dimer defects on the Si(001)2x1 surface
3C-SiC epitaxially grown on Si displays a large wealth of extended defects. In particular, single, double and triple stacking faults (SFs) are observed in several experiments to coexist. Overabundance of defects has so far limited the…
We have theoretically investigated the electronic properties of neutral and $n$-doped dangling bond (DB) quasi-one-dimensional structures (lines) in the Si(001):H and Ge(001):H substrates with the aim of identifying atomic-scale…
In a density-imbalanced bilayer Wigner crystal, where the ratio of electron densities in separate layers deviates slightly from unity, defects spontaneously form in one or both layers in the ground state of the system. Due to quantum…
The coupling energies between the buckled dimers of the Si(001) surface were determined through analysis of the anisotropic critical behavior of its order-disorder phase transition. Spot profiles in high-resolution low-energy electron…
We report on a combined scanning tunneling microscopy and density functional theory calculation study of the SrTiO3(110)-(4 x 1) surface. It is found that antiphase domains are formed along the [1-10]-oriented stripes on the surface. The…
First-principles calculations have been performed to study the formation of defect complexes in Ti doped alpha-Al2O3 crystals. The formation energies of isolated Ti3+ and Ti4+ defects, pairs, triples and quadruples of Ti ions and Al…
An ideal one-dimensional electronic system is formed along atomic chains on Au-decorated vicinal silicon surfaces but the nature of its low temperature phases has been puzzled for last two decades. Here, we unambiguously identify the low…
Fluorescent paramagnetic defects in solids have become attractive systems for quantum information processing in the recent years. One of the leading contenders is the negatively charged nitrogen-vacancy defect in diamond with visible…
Despite being one of the weakest dimers in nature, low-spectral-resolution Voyager/IRIS observations revealed the presence of (H$_2$)$_2$ dimers on Jupiter and Saturn in the 1980s. However, the collision-induced H$_2$-H$_2$ opacity…
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…
Two-dimensional (2D) moire systems based on twisted bilayer graphene and transition metal dichalcogenides provide a promising platform to investigate emergent phenomena driven by strong electron-electron interactions in partially-filled…
Defects in the surface region of a reducible oxide, as TiO2, have a profound effect on applications, while their nature is very much influenced by the possibility of small polaron formation. Here, we probe rutile (110) and anatase (101)…
Point defects give rise to sharp modifications in the structures and electronic properties of two-dimensional metals, offering an atomic-level platform for fundamental studies and potential applications. In this work, we investigate…
The sharp optical resonances of NV- centers in diamond at cryogenic temperatures offer powerful new capabilities for material characterization, but extracting the most detailed information typically requires careful calibration of…
We calculate the differential conductance (dI/dV) corresponding to scanning tunneling spectroscopy (STS) measurements for two magnetic atoms adsorbed on a metal surface with the aid of the numerical renormalization group (NRG) technique. We…
The energy spectrum of spin-orbit coupled states of individual sub-surface boron acceptor dopants in silicon have been investigated using scanning tunneling spectroscopy (STS) at cryogenic temperatures. The spatially resolved tunnel spectra…
We have used a low-temperature scanning tunneling microscope (STM) to study the surface of heavily doped semiconductor InAs crystals. The crystals are cleaved in situ along the (110) plane. Apart from atomically flat areas, we also observe…
The vibration of the dimer on Ge(001) surface with the higher vibrational number excited coherently by STM current is theoretically investigated. The coherent excitation rate of the dimer vibration is obtained by the Hamiltonian consisting…
The negatively charged silicon vacancy (SiV) color center in diamond has recently proven its suitability for bright and stable single photon emission. However, its electronic structure so far has remained elusive. We here explore the…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…