Related papers: Phosphorus donors in highly strained silicon
An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2, MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene,…
Metal phosphosulfides have emerged as unique multifunctional materials, but they present unique synthesis challenges compared to more established material classes such as oxides and nitrides. As a consequence, experimental development and…
Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…
We present density functional theory (DFT) calculations for 6H-SiC$\{0001\}$ surfaces with different surface stackings and terminations. We compare the relative stability of different $(0001)$ and $(000\bar1)$ surfaces in terms of their…
Electron-hole pairs in semiconductors are essential for solar cells and fast electronic circuitry, but the competition between carrier transport and relaxation into heat limits the efficiency and speed. Here we use ultrafast electron…
Donor impurities in wide direct band gap semiconductors provide a promising platform for spin--photon quantum technologies by combining a donor spin qubit with optically addressable transitions. In ZnO, the shallow donor with the largest…
The electrical detection of spin echoes via echo tomography is used to observe decoherence processes associated with the electrical readout of the spin state of phosphorus donor electrons in silicon near a SiO$_2$ interface. Using the…
The efficacy of strained layer threading dislocation filter structures in single crystal epitaxial layers is evaluated using numerical modeling for (001) face-centred cubic materials, such as GaAs or Si(1-x)Ge(x), and (0001) hexagonal…
Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…
We report on our results for the characterization of Si:P delta-layers grown by low temperature molecular beam epitaxy. Our data shows that the effective thickness of a delta-layer can be obtained through a weak localization analysis of…
Magnetic nanoparticles (MNPs) exhibiting superparamagnetic properties might generate large magnetic dipole-dipole interaction with electron spins in organic semiconductors (OSECs). This concept could be considered analogous to the effect of…
We report a pulsed EPR study of the phase relaxation of electron spins bound to phosphorus donors in isotopically purified 29^Si and natural abundance Si single crystals measured at 8 K.
The role of reduced dimensionality and of the surface on electron-phonon (e-ph) coupling in silicon nanowires is determined from first principles. Surface termination and chemistry is found to have a relatively small influence, whereas…
We study the behavior of very thin liquid films wetting homogeneous planar and spherical substrates. In order to describe a simple fluid at very small scales, we employ a classical density functional theory (DFT). Here, we model a fluid…
MnO thin films with various thicknesses and strains were grown on MgO substrates by pulsed laser deposition, then characterized using x-ray diffraction and infrared reflectance spectroscopy. Films grown on (001)-oriented MgO substrates…
Rare-earth-doped nitride phosphors are promising materials for solid-state lighting and photonic applications due to their thermal stability, sharp emission lines, and strong UV-blue absorption. In this work, we present a first-principles…
We investigate advanced CMOS-compatible Graphene/Silicon active metasurfaces based on guided-mode resonance filters. The simulated results show a high extinction ratio (>25 dB), narrow linewidth (~1.5 nm @1550 nm), quality factor of Q~1000,…
Optical second harmonic generation (SHG) has been measured for the first time in reflection from the nanometer-thick films (6 to 40 nm) of the topological insulator Bi2Se3 using 1.51 eV (820 nm) Ti:Sapphire laser photons and revealed a…
This is a comprehensive review of the strong-interaction limit of density functional theory. It covers the derivation of the limiting strictly correlated electrons (SCE) functional from exact Hohenberg-Kohn DFT, basic aspects of SCE physics…
We explore the effects of stress on silicon donor bound exciton ($\mathrm{D^0X}$) transitions in bulk silicon and in microfabricated silicon devices. We first study $\mathrm{D^0X}$ transitions in an isotopically purified silicon-28 bulk…