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Title: Computational generation of voids in a -Si and a -Si:H by cavitation at low density

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Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 4 Journal Issue: 2; Journal ID: ISSN 2475-9953
American Physical Society
Country of Publication:
United States

Citation Formats

Guerrero, Enrique, and Strubbe, David A. Computational generation of voids in a -Si and a -Si:H by cavitation at low density. United States: N. p., 2020. Web. doi:10.1103/PhysRevMaterials.4.025601.
Guerrero, Enrique, & Strubbe, David A. Computational generation of voids in a -Si and a -Si:H by cavitation at low density. United States.
Guerrero, Enrique, and Strubbe, David A. Thu . "Computational generation of voids in a -Si and a -Si:H by cavitation at low density". United States.
title = {Computational generation of voids in a -Si and a -Si:H by cavitation at low density},
author = {Guerrero, Enrique and Strubbe, David A.},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.4.025601},
journal = {Physical Review Materials},
number = 2,
volume = 4,
place = {United States},
year = {2020},
month = {2}

Works referenced in this record:

Silicon-Based Optical Mirror Coatings for Ultrahigh Precision Metrology and Sensing
journal, June 2018

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Multiple-Quantum NMR Study of Clustering in Hydrogenated Amorphous Silicon
journal, March 1986

Excess Specific Heat in Evaporated Amorphous Silicon
journal, March 2013

Microscopic Description of Light Induced Defects in Amorphous Silicon Solar Cells
journal, December 2008

Metastable Defect Formation at Microvoids Identified as a Source of Light-Induced Degradation in a Si : H
journal, February 2014

Hydrogenated microvoids and light-induced degradation of amorphous-silicon solar cells
journal, December 1986

  • Carlson, D. E.
  • Applied Physics A Solids and Surfaces, Vol. 41, Issue 4
  • DOI: 10.1007/BF00616053

Amorphous-silicon formation by rapid quenching: A molecular-dynamics study
journal, September 1987

23.6%-efficient monolithic perovskite/silicon tandem solar cells with improved stability
journal, February 2017

  • Bush, Kevin A.; Palmstrom, Axel F.; Yu, Zhengshan J.
  • Nature Energy, Vol. 2, Issue 4
  • DOI: 10.1038/nenergy.2017.9

Morphology and Number Density of Voids in Hydrogenated Amorphous Silicon: An Ab Initio Study
journal, February 2017

Hole-mobility-limiting atomic structures in hydrogenated amorphous silicon
journal, September 2014

General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions
journal, October 2009

  • Thompson, Aidan P.; Plimpton, Steven J.; Mattson, William
  • The Journal of Chemical Physics, Vol. 131, Issue 15
  • DOI: 10.1063/1.3245303

Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation
journal, January 2016

Fractal free energy landscapes in structural glasses
journal, April 2014

  • Charbonneau, Patrick; Kurchan, Jorge; Parisi, Giorgio
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4725

Voids in hydrogenated amorphous silicon materials
journal, September 2012

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Hydrogen microstructure in amorphous hydrogenated silicon
journal, August 1987

  • Gleason, Karen K.; Petrich, Mark A.; Reimer, Jeffrey A.
  • Physical Review B, Vol. 36, Issue 6
  • DOI: 10.1103/PhysRevB.36.3259

Annual degradation rates of recent crystalline silicon photovoltaic modules: Annual degradation rates of recent c-Si PV modules
journal, July 2017

  • Ishii, Tetsuyuki; Masuda, Atsushi
  • Progress in Photovoltaics: Research and Applications, Vol. 25, Issue 12
  • DOI: 10.1002/pip.2903

Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems
journal, June 2010

Empirical interatomic potential for silicon with improved elastic properties
journal, November 1988

Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si
journal, April 2016

Mechanical properties of a ‐Si:H films studied by Brillouin scattering and nanoindenter
journal, June 1990

  • Jiang, X.; Goranchev, B.; Schmidt, K.
  • Journal of Applied Physics, Vol. 67, Issue 11
  • DOI: 10.1063/1.345064

Optimal atomic structure of amorphous silicon obtained from density functional theory calculations
journal, June 2017

  • Pedersen, Andreas; Pizzagalli, Laurent; Jónsson, Hannes
  • New Journal of Physics, Vol. 19, Issue 6
  • DOI: 10.1088/1367-2630/aa732e

Magic-angle spinning Si 29 NMR study of short-range order in a -Si
journal, May 1990

Static and dynamic properties of hydrogenated amorphous silicon with voids
journal, March 2009

High-energy x-ray diffraction study of pure amorphous silicon
journal, November 1999

The structure of amorphous Si:H using steady state and pulsed neutron sources
journal, January 1989

Nanoscale structure of microvoids in a -Si:H: a first-principles study
journal, October 2015

Computer simulation of local order in condensed phases of silicon
journal, April 1985

Mechanical and elastic properties of amorphous hydrogenated silicon films studied by broadband surface acoustic wave spectroscopy
journal, September 1995

  • Kuschnereit, R.; Fath, H.; Kolomenskii, A. A.
  • Applied Physics A Materials Science & Processing, Vol. 61, Issue 3
  • DOI: 10.1007/BF01538192

High-quality continuous random networks
journal, August 2000

Radial distribution functions of amorphous silicon
journal, March 1989

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
journal, February 2012

Metadynamical approach to the generation of amorphous structures: The case of a -Si:H
journal, May 2016

  • Biswas, Parthapratim; Atta-Fynn, Raymond; Elliott, Stephen R.
  • Physical Review B, Vol. 93, Issue 18
  • DOI: 10.1103/PhysRevB.93.184202

Structural relaxation and defect annihilation in pure amorphous silicon
journal, August 1991

Cavitation of water by volume-controlled stretching
journal, February 2017

Vacancies in amorphous silicon: A tight-binding molecular-dynamics simulation
journal, January 1999

Bubble nucleation in liquids
journal, September 1975

24.7% Record Efficiency HIT Solar Cell on Thin Silicon Wafer
journal, January 2014

Thermal conductivity of amorphous and nanocrystalline silicon films prepared by hot-wire chemical-vapor deposition
journal, July 2017

The effect of film tensile stress on crystallite nucleation and growth in thermally annealed a-Si:H
journal, February 2014

  • Mahan, A. H.; Dabney, M. S.; Molina Piper, D.
  • Journal of Applied Physics, Vol. 115, Issue 8
  • DOI: 10.1063/1.4865943

Real space information from fluctuation electron microscopy: applications to amorphous silicon
journal, October 2007

  • Biswas, Parthapratim; Atta-Fynn, Raymond; Chakraborty, S.
  • Journal of Physics: Condensed Matter, Vol. 19, Issue 45
  • DOI: 10.1088/0953-8984/19/45/455202

Origins of hole traps in hydrogenated nanocrystalline and amorphous silicon revealed through machine learning
journal, March 2014

Small-angle x-ray scattering in amorphous silicon: A computational study
journal, May 2018

Neutron scattering studies of hydrogenated, deuterated and fluorinated amorphous silicon
journal, September 2007

On the nanostructure of pure amorphous silicon
journal, July 1995

  • Williamson, D. L.; Roorda, S.; Chicoine, M.
  • Applied Physics Letters, Vol. 67, Issue 2
  • DOI: 10.1063/1.114675

Viscosity and elastic constants of amorphous Si and Ge
journal, December 1993

  • Witvrouw, Ann; Spaepen, Frans
  • Journal of Applied Physics, Vol. 74, Issue 12
  • DOI: 10.1063/1.355031

Reversible conductivity changes in discharge‐produced amorphous Si
journal, August 1977

  • Staebler, D. L.; Wronski, C. R.
  • Applied Physics Letters, Vol. 31, Issue 4
  • DOI: 10.1063/1.89674

Structural investigation of hydrogenated amorphous silicon by X-ray diffraction
journal, March 1981

Quantification of the bond-angle dispersion by Raman spectroscopy and the strain energy of amorphous silicon
journal, January 2008

  • Roura, P.; Farjas, J.; Roca i. Cabarrocas, P.
  • Journal of Applied Physics, Vol. 104, Issue 7
  • DOI: 10.1063/1.2990767

Low-temperature anomalous specific heat without tunneling modes: A simulation for a Si with voids
journal, February 2000

Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics
journal, May 2018

  • Deringer, Volker L.; Bernstein, Noam; Bartók, Albert P.
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 11
  • DOI: 10.1021/acs.jpclett.8b00902

Characterization and comparison of pore landscapes in crystalline porous materials
journal, July 2013

  • Pinheiro, Marielle; Martin, Richard L.; Rycroft, Chris H.
  • Journal of Molecular Graphics and Modelling, Vol. 44
  • DOI: 10.1016/j.jmgm.2013.05.007

Amorphous silicon thin film transistor circuit integration for organic LED displays on glass and plastic
journal, September 2004

  • Nathan, A.; Kumar, A.; Sakariya, K.
  • IEEE Journal of Solid-State Circuits, Vol. 39, Issue 9, p. 1477-1486
  • DOI: 10.1109/JSSC.2004.829373

Computer Generation of Structural Models of Amorphous Si and Ge
journal, April 1985

What is the Young's Modulus of Silicon?
journal, April 2010

  • Hopcroft, Matthew A.; Nix, William D.; Kenny, Thomas W.
  • Journal of Microelectromechanical Systems, Vol. 19, Issue 2
  • DOI: 10.1109/JMEMS.2009.2039697

Structural information from the Raman spectrum of amorphous silicon
journal, July 1985

Small-angle X-ray scattering studies of microvoids in a-SiC:H and a-Si:H
journal, October 1989

Vacancies and voids in hydrogenated amorphous silicon
journal, March 2003

  • Smets, A. H. M.; Kessels, W. M. M.; van de Sanden, M. C. M.
  • Applied Physics Letters, Vol. 82, Issue 10
  • DOI: 10.1063/1.1559657

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990

Optical study of microvoids, voids, and local inhomogeneities in amorphous silicon
journal, October 1991

  • Vanecek, M.; Holoubek, J.; Shah, A.
  • Applied Physics Letters, Vol. 59, Issue 18
  • DOI: 10.1063/1.106081

Hydrogen microstructure in hydrogenated amorphous silicon
journal, December 1996

Elastic properties of covalent glasses
journal, October 1986

Grain Boundary Engineering for Improved Thin Silicon Photovoltaics
journal, August 2014

  • Raghunathan, Rajamani; Johlin, Eric; Grossman, Jeffrey C.
  • Nano Letters, Vol. 14, Issue 9
  • DOI: 10.1021/nl501020q

Characterization of the Local Structure in Liquid Water by Various Order Parameters
journal, June 2015

  • Duboué-Dijon, Elise; Laage, Damien
  • The Journal of Physical Chemistry B, Vol. 119, Issue 26
  • DOI: 10.1021/acs.jpcb.5b02936

Evidence of Voids Within the As-Deposited Structure of Glassy Silicon
journal, November 1969

Packing Structures and Transitions in Liquids and Solids
journal, September 1984

Ring Configurations in a Random Network Model of Vitreous Silica
journal, March 1967

Silicon Heterojunction System Field Performance
journal, January 2018

Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a -Si:H
journal, December 2015

  • Strubbe, David A.; Johlin, Eric C.; Kirkpatrick, Timothy R.
  • Physical Review B, Vol. 92, Issue 24
  • DOI: 10.1103/PhysRevB.92.241202

Silicon network relaxation in amorphous hydrogenated silicon
journal, November 1997

Realistic models of amorphous silica: A comparative study of different potentials
journal, August 2003

Structural origins of intrinsic stress in amorphous silicon thin films
journal, February 2012