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Related papers: Phosphorus donors in highly strained silicon

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The magnetic properties of Fe/Ag granular multilayers were examined by SQUID magnetization and Mossbauer spectroscopy measurements. Very thin (0.2 nm) discontinuous Fe layers show superparamagnetic properties that can be tailored by the…

A study of donor electron spins and spin--dependent electronic transitions involving phosphorous ($^{31}$P) atoms in proximity of the (111) oriented crystalline silicon (c-Si) to silicon dioxide (SiO$_{2}$) interface is presented for…

Materials Science · Physics 2015-05-13 S. -Y. Paik , S. -Y. Lee , W. J. Baker , D. R. McCamey. C. Boehme

The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. Within the…

Materials Science · Physics 2015-05-13 J. M. Morbec , K. Capelle

Silicon photonics is being extended from the near-infrared (near-IR) window of 1.3-1.5 {\mu}m for optical fiber communications to the mid-infrared (mid-IR) wavelength-band of 2 {\mu}m or longer for satisfying the increasing demands in many…

As progress is made on thin-film synthesis of Heusler compounds, a more complete understanding of the surface will be required to control their properties, especially as functional heterostructures are explored. Here, the surface…

Pulsed electrically-detected magnetic resonance of phosphorous (31P) in bulk crystalline silicon at very high magnetic fields (B > 8.5 T) and low temperatures (T = 2.8 K) is presented. We find that the spin-dependent capture and reemission…

Quantum Physics · Physics 2009-09-25 G. W. Morley , D. R. McCamey , H. A. Seipel , L. -C. Brunel , J. van Tol , C. Boehme

Plasmonic bowtie antennas made of doped silicon can operate as plasmonic resonators at terahertz (THz) frequencies and provide large field enhancement close to their gap. We demonstrate both experimentally and theoretically that the field…

We present an experimental investigation of a new polymorphic 2D single layer of phosphorus on Ag(111). The atomically-resolved scanning tunneling microscopy (STM) images show a new 2D material composed of freely-floating phosphorus…

Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer $\delta$-doping of {\em interstitial} Mn (Mn$_{\mathrm int}$) are half-metallic. For Mn$_{\mathrm int}$…

Materials Science · Physics 2007-05-23 Hua Wu , Peter Kratzer , Matthias Scheffler

The influence of a chemically or electrically heterogeneous distribution of interaction sites at a planar substrate on the number density of an adjacent fluid is studied by means of classical density functional theory (DFT). In the case of…

Soft Condensed Matter · Physics 2018-05-25 Maximilian Mußotter , Markus Bier , S. Dietrich

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

Materials Science · Physics 2024-11-28 Mario Benites , Angel Rosado , Efstratios Manousakis

We present a simple model for the electron-phonon interactions between the energy subbands in polyacene field-effect transistors and the vibrations of the crystal. We introduce a generalized Su-Schrieffer-Heeger model, arguing that the…

Superconductivity · Physics 2016-08-16 Jairo Sinova , Alvaro Núñez , John Schliemann , A. H. MacDonald

We present a systematic Density Functional Theory (DFT) study of geometries and energies of the nucleic acid DNA bases (guanine, adenine, cytosine and thymine) and 30 different DNA base-pairs. We use a recently developed linear-scaling DFT…

Chemical Physics · Physics 2007-05-23 Maider Machado , Pablo Ordejon , Emilio Artacho , Daniel Sanchez-Portal , Jose M. Soler

The effect of polarization rotation on the performance of metal oxide semiconductor field-effect transistors was investigated with a Landau-Ginzburg-Devonshire theory based model. In this analytical model, depolarization field, polarization…

Materials Science · Physics 2015-07-06 Yubo Qi , Andrew M. Rappe

Selenium is a crucial earth-abundant and non-toxic semiconductor with a wide range of applications across the semiconductor industries. Selenium has drawn attention from scientific communities for its wide range of applicability: from…

Materials Science · Physics 2021-04-30 S. K. Barman , M. N. Huda , J. Asaadi , E. Gramellini , D. Nygren

Elemental phosphorous is believed to have several stable allotropes that are energetically nearly degenerate, but chemically reactive. To prevent chemical degradation under ambient conditions, these structures may be capped by monolayers of…

Mesoscale and Nanoscale Physics · Physics 2015-03-24 Pablo Rivero , Cedric M. Horvath , Zhen Zhu , Jie Guan , David Tománek , Salvador Barraza-Lopez

Electrically-detected magnetic resonance (EDMR) provides a highly sensitive method for reading out the state of donor spins in silicon. The technique relies on a spin-dependent recombination (SDR) process involving dopant spins that are…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 Lihuang Zhu , Kipp J. van Schooten , Mallory. L. Guy , Chandrasekhar Ramanathan

Density functional theory(DFT) and Hartree-Fock(HF) calculations are reported for the family of transition metal fluorides $\mbox{ScF}_3$, $\mbox{TiF}_4$, $\mbox{VF}_5$, and $\mbox{CrF}_6$. Both HF and the local-density-aproximation (LDA)…

chem-ph · Physics 2016-08-31 Thomas V. Russo , Richard L. Martin , P. Jeffrey Hay

We report on infrared (IR) absorption and dc electrical measurements of thin films of poly(3-hexylthiophene) (P3HT) that have been modified by a fluoroalkyl trichlorosilane (FTS). Spectra for FTS-treated films were compared to data for…

To search for high-efficiency narrow-band donor materials to improve the short-circuit current density ($J_{sc}$) of organic solar cells, a series of small molecules based in Bodipy-Triphenylamine were characterized using density functional…