Related papers: Dislocations as natural quantum wires in Diamond
The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far…
We highlight the emergence of metallic states in two-dimensional transition-metal-dichalcogenide nanostructures -nanoribbons, islands, and inversion domain boundaries- as a widespread and universal phenomenon driven by the polar…
Certain lattices with specific geometries have one or more spectral bands that are strictly flat, i.e. the electron energy is independent of the momentum. This can occur robustly irrespective of the specific couplings between the lattices…
We investigate the possible occurrence of field-effect induced superconductivity in the hydrogenated $(111)$ diamond surface by first-principles calculations. By computing the band alignment between bulk diamond and the hydrogenated surface…
One-dimensional (1D) moir\'e superlattices provide a new route to engineering reduced-dimensional electronic states in van der Waals materials, yet their electronic structure and microscopic origin remain largely unexplored. Here, we…
The exceptional combination of strength and ductility in multi-component alloys is often attributed to the interaction of dislocations with the various solute atoms in the alloy. To study these effects on the mechanical properties of such…
We use a discrete dislocation dynamics (DDD) approach to study the motion of a dislocation under strong stochastic forces that may cause bending and roughening of the dislocation line on scales that are comparable to the dislocation core…
Diamond-structure materials have been extensively studied for decades, which form the foundation for most semiconductors and their modern day electronic devices. Here, we discover a e$_g$-orbital ($d_{z^2}$,$d_{x^2-y^2}$ ) model within the…
Using first principles calculations, this work investigates the suitability of diamond/c-BN heterojunctions for high frequency, high power device applications. The key quantities of band offsets and interface charge polarization are…
Engineering coherent systems is a central goal of quantum science. Color centers in diamond are a promising approach, with the potential to combine the coherence of atoms with the scalability of a solid state platform. However, the solid…
The unusual metallic state in conjugated polymers and single-walled carbon nanotubes is studied by dielectric spectroscopy (8--600 GHz). We have found an intriguing correlation between scattering time and plasma frequency. This relation…
The core structure of dislocations is critical to their mobility, cross slip, and other plastic behaviors. Atomistic simulation of the core structure is limited by the size of first-principles density functional theory (DFT) calculation and…
Exotic properties in single or few layers of van der Waals materials carry great promise for applications in nanoscaled electronics, optoelectronics and flexible devices. The established, distinct examples include extremely high mobility…
The nitrogen vacancy (NV) center in diamond exhibits spin-dependent fluorescence and long spin coherence times under ambient conditions, enabling applications in quantum information processing and sensing. NV centers near the surface can…
Group-5 transition metal ditellurides $M$Te$_2$ ($M$ = V, Nb, Ta) are unique CdI$_2$-type layered materials that exhibit peculiar quasi-one-dimensional intralayer superstructures, known as ribbon-chains and butterfly-like clusters of $M$…
The paper presents results of investigation of a natural Ib-IaA diamond containing Y-defects from Yubileinaya kimberlite pipe, Yakutia. Analysis of spatial distribution of nitrogen-related A and C centers and intensity of Infra-red…
Plasticity in zirconium is controlled by 1/3<1-210> screw dislocations gliding in the prism planes of the hexagonal close-packed structure. This prismatic and not basal glide is observed for a given set of transition metals like zirconium…
We investigate unconventional superconductivity in three-dimensional electronic systems with the chemical potential close to a quadratic band touching point in the band dispersion. Short-range interactions can lead to d-wave…
We report pure carbon-based superlattices that exhibit direct band gaps and excellent optical absorption and emission properties at the threshold energy. The structures are nearly identical to that of cubic diamond except that defective…
A Weyl semimetal pierced by a screw dislocation accommodates one-dimensional (1D) chiral states along the corresponding dislocation line. As these states propagate in a particular direction determined by their chirality, a persistent…