Related papers: Defect Modulated Band Modification in Ion Implante…
We report on an ion implantation technique utilizing a screening mask made of SiO$_2$ to control both the depth profile and the dose. By appropriately selecting the thickness of the screening layer, this method fully suppresses the ion…
In this investigation, Gd and Mn co-doped Bi$_{0.85}$Gd$_{0.15}$Fe$_{1-x}$Mn$_x$O$_3$ (x=0.0-0.15) nanoparticles have been prepared to report the influence of co-substitution on their structural, optical, magnetic and electrical properties.…
Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced dimensionality, quantum confinement, and edge states. Tang et…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
Synthesizing distinct phases and controlling the crystalline defects in them are key concepts in materials and process design. These approaches are usually described by decoupled theories, with the former resting on equilibrium…
Low temperature quantum corrections to the density of states (DOS) and the conductivity are examined for a two-dimensional(2D) square crystal with substitutional impurities. By summing the leading logarithmic corrections to the DOS its…
The metal-insulator transition (MIT) of V6O11 is studied by means of electronic structure calculations using the augmented spherical wave method. The calculations are based on density functional theory and the local density approximation.…
Defect engineering using self-doping or creating vacancies in polycrystalline oxide based materials has profound influence on optical absorption, UV photo detection, and electrical switching. However, defects induced semiconducting oxide…
The negatively charged nitrogen-vacancy (NV-) centre in diamond has many exciting applications in quantum nano-metrology, including magnetometry, electrometry, thermometry and piezometry. Indeed, it is possible for a single NV- centre to…
The electronic band structure of the (Ga,Mn)As system has been one of the most intriguing problems in solid state physics over the past two decades. Determination of the band structure evolution with increasing Mn concentration is a key…
The potential to control the number of the spin-wave band gaps of a magnonic crystal (MC) by variation of its geometry is investigated by numerical simulations. The magnonic crystal is represented by a micro-sized planar ferromagnetic…
In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs). The electronic structure of…
Control over the charge states of color centers in solids is necessary in order to fully utilize them in quantum technologies. However, the microscopic charge dynamics of deep defects in wide-bandgap semiconductors are complex, and much…
We present a theoretical study of broadening of defect luminescence bands due to vibronic coupling. Numerical proof is provided for the commonly used assumption that a multi-dimensional vibrational problem can be mapped onto an effective…
Recent years have witnessed the boom of cavity optomechanics, which exploits the confinement and coupling of optical and mechanical waves at the nanoscale. Amongst their physical implementations, optomechanical (OM) crystals built on…
The microscopic mechanism of the hydrogen-induced metal-insulator transition in SmNiO$_3$ is clarified by means of density-functional theory with the Hubbard U correction. While 100% of hydrogen doping per Ni atom has been supposed to be…
The electronic properties of polycrystalline lead oxide consisting of a network of single-crystalline $\alpha$-PbO platelets and the formation of the native point defects in $\alpha$-PbO crystal lattice are studied using first principles…
The silicon-vacancy (SiV) and nitrogen-vacancy (NV) centers in diamond are commonly regarded as prototypical defects for solid-state quantum information processing. Here we show that when silicon and nitrogen are simultaneously introduced…
Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…
Several experimental studies have referred to the grain boundary (GB) defect as the origin of the ferromagnetism in ZnO. However, the mechanism of this hypothesis has never been confirmed. Present study investigates the atomic structure and…