Related papers: Acceptor and donor impurity levels in hexagonal-di…
In this paper we examine the effects of varying several experimental parameters in the Kane quantum computer architecture: A-gate voltage, the qubit depth below the silicon oxide barrier, and the back gate depth to explore how these…
Diborane (B$_2$H$_6$) is a promising molecular precursor for atomic precision p-type doping of silicon that has recently been experimentally demonstrated [T. {\v{S}}kere{\v{n}}, \textit{et al.,} Nature Electronics (2020)]. We use density…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
The unique electrical and material properties of 4H-silicon-carbide (4H-SiC) make it a promising candidate material for high rate particle detectors. In contrast to the ubiquitously used silicon (Si), 4H-SiC offers a higher carrier…
Hexagonal-diamond (2H) group IV nanowires are key for advancing group IV-based lasers, quantum electronics, and photonics. Understanding their dielectric response is crucial for performance optimization, but their optical absorption…
Basal-plane dislocations (BPDs) pose a great challenge to the reliability of bipolar power devices based on the 4H silicon carbide (4H-SiC). It is well established that heavy nitrogen (N) doping promotes the conversion of BPDs to threading…
Dielectric constant and absorption measurements on boron doped silicon samples show that transitions between the acceptor energy levels can be induced by an applied resonant ac electric field and the Stark tuning of level spacing with an…
In the present theoretical work we have considered impurities, either boron or phosphorous, located at different substitutional sites in silicon quantum dots (Si-QDs) with diameters around 1.5\,nm, embedded in a SiO2 matrix. Formation…
N-type doping in Si by shallow impurities, such as P, As and Sb, exhibits an intrinsic limit due to the Fermi-level pinning via defect complexes at high doping concentrations. Here we demonstrate that doping Si with the chalcogen Te by…
All electronic, optoelectronic or photovoltaic applications of silicon depend on controlling majority charge carriers via doping with impurity atoms. Nanoscale silicon is omnipresent in fundamental research (quantum dots, nanowires) but…
We provide direct evidence that the broad Z$_{1/2}$ peak, commonly observed by conventional DLTS in as-grown and at high concentrations in radiation damaged $4H$-SiC, has two components, namely Z$_{1}$ and Z$_{2}$, with activation energies…
We use hybrid density functional calculations to assess n-type doping in monoclinic (Al$_x$Ga$_{1-x}$)$_2$O$_3$ alloys. We focus on Si, the most promising donor dopant, and study the structural properties, formation energies and…
Density functional theory calculations are used to systematically investigate the structural and electronic properties of MX$_2$ transition metal dichalcogenide monolayers with M = Cr, Mo, W and X = S, Se, Te that are doped with single (V,…
Conventional impurity doping of deep nanoscale silicon (dns-Si) used in ultra large scale integration (ULSI) faces serious challenges below the 14 nm technology node. We report on a new fundamental effect in theory and experiment, namely…
We have performed ab-initio molecular dynamics simulations to elucidate the mechanism of the phase transition at high pressure from hexagonal graphite (HG) to hexagonal diamond (HD) or to cubic diamond (CD). The transition from HG to HD is…
Experiments on a sufficiently disordered two-dimensional (2D) electron system in silicon reveal a new and unexpected kind of metallic behavior, where the conductivity decreases as \sigma (n_s,T)=\sigma (n_s,T=0)+A(n_s)T^2 (n_s-carrier…
The surface conductivity of hydrogen-terminated diamond is a topic of great interest from both scientific and technological perspectives. This is primarily due to the fact that the conductivity is exceptionally high without the need for…
Doping of semiconductors by impurity atoms enabled their widespread technological application in micro and opto-electronics. For colloidal semiconductor nanocrystals, an emerging family of materials where size, composition and shape-control…
Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic applications. Here, we introduce a novel 2D silicon variant,…
Two-dimensional (2D) van der Waals nanomaterials have attracted considerable attention for potential use in photonic and optoelectronic applications in the nanoscale, due to their outstanding electrical and optical properties, differing…