The Structure of the Boron-Hydrogen Complex in Silicon

1987 ◽  
Vol 104 ◽  
Author(s):  
A. D. Marwick ◽  
G. S. Oehrlein ◽  
J. H. Barrett ◽  
N. M Johnson
Keyword(s):  
Monte Carlo ◽  
Hydrogen Atom ◽  
Monte Carlo Simulations ◽  
Boron Atom ◽  
Small Proportion ◽  
Crystalline Silicon ◽  
Hydrogen Atoms ◽  
Substitutional Site ◽  
Bond Center ◽  
Center Site

ABSTRACTChanneling and lattice location has been used to investigate the structure of the boron-hydrogen complex in crystalline silicon. The positions of both the boron and hydrogen atoms have been determined. The results are compared with Monte-Carlo simulations. The boron atom in the B-H pair is found to be displaced from a substitutional site by 0.28±0.03Å, while the hydrogen atom is predominantly at a bond-center site, with a small proportion in a back-bonded position.

Hydrogen in Crystalline Silicon under Compression and Tension

1989 ◽  
Vol 163 ◽  
Author(s):  
C.S. Nichols ◽  
D.R. Clarke
Keyword(s):  
Tensile Stress ◽  
Charge State ◽  
First Principles ◽  
Crystalline Silicon ◽  
Hydrogen Charge ◽  
Interstitial Site ◽  
Crystalline Lattice ◽  
Bond Center ◽  
Crack Tips ◽  
Center Site

AbstractThe behavior of hydrogen in crystalline silicon (c-Si) containing regions of compressive or tensile stress is important for understanding the solute’s interaction with dislocations, grain boundaries, and crack tips. A series of first-principles total-energy calculations probing the stable site for hydrogen as a function of its charge state, the Fermi level position, and the crystalline lattice constant has been performed. We find that the stable site for hydrogen depends critically on both pressure and on the hydrogen charge state. Furthermore, hydrogen is predicted to undergo a transition from an interstitial site to the bond-center site as a function of pressure.

Coupling of Electronic and Structural Properties of Hydrogen in Crystalline Silicon

1995 ◽  
Vol 378 ◽  
Author(s):  
Wolfgang Csaszar ◽  
Arthur L. Endrös
Keyword(s):  
Hydrogen Atom ◽  
Carbon Atom ◽  
Structural Properties ◽  
Lattice Site ◽  
Crystalline Silicon ◽  
Fundamental Properties ◽  
Center Position ◽  
Great Progress ◽  
Bond Center ◽  
Electronic And Structural Properties

AbstractTheory has made great progress during recent years in calculating the fundamental properties of monatomic hydrogen in crystalline silicon. By applying the DLTS and DDLTS method we use the hydrogen-carbon complex which consists of an electronically inactive carbon atom on a substitutional lattice site and a hydrogen atom near the bond-center position to detect theoretically predicted properties of hydrogen in silicon. The results of two independent experiments show that there exists a coupling of the electronic and structural properties of monatomic hydrogen, as predicted by theory.

DFT Calculations and Monte Carlo Simulations of the Co-Adsorption of Hydrogen Atoms and Ethylidyne Species on Pt(111)

2001 ◽  
Vol 105 (36) ◽  
pp. 8550-8562 ◽  
Author(s):  
Sergei G. Podkolzin ◽  
Ramchandra M. Watwe ◽  
Qiliang Yan ◽  
Juan J. de Pablo ◽  
James A. Dumesic
Keyword(s):  
Monte Carlo ◽  
Dft Calculations ◽  
Monte Carlo Simulations ◽  
Co Adsorption ◽  
Hydrogen Atoms ◽  
Adsorption Of Hydrogen

Sampling calibration of ion implantation profiles in crystalline silicon from 0.1 to 300keV using Monte Carlo simulations

2005 ◽  
Vol 49 (7) ◽  
pp. 1241-1247
Author(s):  
H.Y. Chan ◽  
M.P. Srinivasan ◽  
F. Benistant ◽  
H.M. Jin ◽  
L. Chan
Keyword(s):  
Monte Carlo ◽  
Ion Implantation ◽  
Monte Carlo Simulations ◽  
Crystalline Silicon

scholarly journals A SIMPLE MODEL OF PRICE FORMATION

2002 ◽  
Vol 13 (01) ◽  
pp. 115-123 ◽  
Author(s):  
K. SZNAJD-WERON ◽  
R. WERON
Keyword(s):  
Monte Carlo ◽  
Simple Model ◽  
Monte Carlo Simulations ◽  
Financial Markets ◽  
Spin Model ◽  
Price Formation ◽  
Agent Based ◽  
Ising Spin ◽  
Simple Rules ◽  
Center Site

A simple Ising spin model, which can describe the mechanism of price formation in financial markets is proposed. In contrast to other agent-based models, the influence does not flow inward from the surrounding neighbors to the center site, but spreads outward from the center to the neighbors. The model thus describes the spread of opinions among traders. It is shown via standard Monte Carlo simulations that very simple rules lead to dynamics that duplicate those of asset prices.

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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