Related papers: Optimizing surface defects for atomic-scale electr…
Bismuth-chalchogenides are model examples of three-dimensional topological insulators. Their ideal bulk-truncated surface hosts a single spin-helical surface state, which is the simplest possible surface electronic structure allowed by…
Identifying scalable materials systems that exhibit quantum behavior is a central challenge in quantum information science. Point defects in certain wide-bandgap semiconductors are promising in this regard due to the maturity of…
Individual spin defects in solids are promising building blocks for quantum technologies, but their deterministic creation, individual addressability, and operation near surfaces remain major challenges. Two-dimensional materials provide an…
While defects are generally considered to be unavoidable in experiments, engineering them is also a way of manipulating the physical properties of materials. In this study, the role of periodically arranged single vacancy defects in…
A central problem in the deployment of quantum technologies is the realization of robust architectures for quantum interconnects. We propose to engineer interconnects in semiconductors and insulators by patterning spin qubits at…
We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the…
The relaxed geometries and electronic properties of the hydrogenated phases of the Si(111)-7$\times$7 surface are studied using first-principles molecular dynamics. A monohydride phase, with one H per dangling bond adsorbed on the bare…
We analyze a class of bound defect states in the continuum electronic spectrum of bilayer materials, which emerge independent of symmetry protection or additional degrees of freedom. Taking graphene as a prototypical example, our…
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…
Light-emitting complex defects in silicon have been considered a potential platform for quantum technologies based on spin and photon degrees of freedom working at telecom wavelengths. Their integration in complex devices is still in its…
Optically active quantum defects play an important role in quantum sensing, computing, and communication. The electronic structure and the single-particle energy levels of these quantum defects in the semiconducting host have been used to…
Defects of Ge quantum dot arrays may affect the electrophysical, photoelectrical or optical properties of Ge/Si heterostructures as well as the functionality of devices produced on their basis. The defects of Ge quantum dot arrays formed at…
The 2D semiconducting transition metal dichalcogenides (e.g., WS2) host strong coupling between various degrees of freedom leading to potential applications in next-generation device applications including optoelectronics. Such applications…
Defects play a key role in determining the properties of most materials and, because they tend to be highly localized, characterizing them at the single-defect level is particularly important. Scanning tunneling microscopy (STM) has a…
Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
As the ultimate miniaturization of semiconductor devices approaches, it is imperative that the effects of single dopants be clarified. Beyond providing insight into functions and limitations of conventional devices, such information enables…
Si(001)-(2$\times$1) surface is one of the many two-dimensional systems of scientific and applied interest. It has two surface state bands (1) anti-bonding pi* band, which has acceptor states and (2) bonding pi band, which has donor states.…
Among the various kinds of spin defects in hBN, the negatively charged boron vacancy ($\rm V_B^-$) spin defect that can be deterministically generated is undoubtedly a potential candidate for quantum sensing, but its low quantum efficiency…
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…