Related papers: Acceptor and donor impurity levels in hexagonal-di…
In this work we aim at understanding the effect of n-type and p-type substitutional doping in the case of matrix-embedded and freestanding Si nanocrystals. By means of ab-initio calculations we identify the preferential positioning of the…
Because it is easily switched from insulator to metal either via chemical doping or electrical gating, silicon is at the core of modern information technology and remains a candidate platform for quantum computing. The metal-to-insulator…
Possibility for collectivization of acceptor states in a semiconductor, converting it to metal, is discussed within the scope of Anderson s-d hybride model. This model is generalized for multicomponent band structure and composite acceptor…
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials C$_2$N, $tg$-, and $hg$-C$_3$N$_4$ by means of density functional theory calculations. We consider four types of impurities;…
Advanced microelectronics in the future may require semiconducting channel materials beyond silicon. Two-dimensional (2D) semiconductors, characterized by their atomically thin thickness, hold immense promise for high-performance electronic…
The interactions between acceptors in semiconductors are often treated in qualitatively the same manner as those between donors. Acceptor wave functions are taken to be approximately hydrogenic and the standard hydrogen molecule…
We present a comprehensive study on the formation of micrometer-sized, textured hexagonal diamond silicon (hd-Si) crystals via nanoindentation followed by annealing. Utilizing advanced characterization techniques such as polarized Raman…
Low-energy instabilities in the hole doped cuprates include, besides short range antiferromagnetic fluctuations and superconductivity, also ubiquitous translational and rotational symmetry breakings. The overwhelming majority of…
We consider how the infrared intensity of an O-H stretch in a hydrogen bonded complex varies as the strength of the H-bond varies from weak to strong. We obtain trends for the fundamental and overtone transitions as a function of…
Boron doped diamond is extensively studied for its use in tribological and electrochemical applications due to its remarkable physical and chemical properties. However, ambient conditions play a major role to its macroscopically observed…
Doped semiconductors can exhibit metallic-like properties ranging from superconductivity to tunable localized surface plasmon resonances. Diamond is a wide-bandgap semiconductor that is rendered electronically active by incorporating a hole…
Using \textit{ab initio} calculation, we investigate systematically the structural and electronic properties of Ni$_{2}$Nb$_{1+x}$Sn$_{1-x}$ ($x$ = 0, 0.25, 0.50). Here, projector augmented wave approach (PAW) implemented in the Vienna…
Doping stoichiometric SiNx layers (x=[N]/[Si]=1.33) with Si atoms by ultra-low energy ion implantation (ULE-II) and annealing them at different temperatures can significantly impact the switching characteristics. Electrical characterization…
We present density functional theory calculations of phosphorus dopants in bulk silicon and of several properties relating to their use as spin qubits for quantum computation. Rather than a mixed pseudopotential or a Heitler-London…
Tunneling measurements are performed on Ca-rich single crystals of Bi2Sr2CaCu2O8+d (Bi2212), with various oxygen doping levels, using a novel point contact method. At 4.2 K, SIN and SIS tunnel junctions are obtained with well-defined…
Pressure-induced magnetic phase transition is attracting interest due to its ability to detect superconducting behaviour at high pressures in diamond anvil cells. However, detection of the local sample magnetic properties is a great…
In this letter, we report the effects of irradiating hydrogen-terminated diamond surfaces with protons. We study the electrical behavior of the two-dimensional hole gas that forms on the diamond surface as a result of hydrogen-termination.…
Donor-acceptor pairs (DAPs) in wide-bandgap semiconductors are promising platforms for the realization of quantum technologies, due to their optically controllable, long-range dipolar interactions. Specifically, Al-N DAPs in bulk silicon…
Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…
We substantiate by calculations that the recently discovered superconductivity below 4 K in 3% boron-doped diamond is caused by electron-phonon coupling of the same type as in MgB$_2$, albeit in 3 dimensions. Holes at the top of the…