Structural, electronic, and vibrational properties of high-density amorphous silicon: A first-principles molecular-dynamics study

Tetsuya Morishita

doi:10.1063/1.3126093

Structural, electronic, and vibrational properties of high-density amorphous silicon: A first-principles molecular-dynamics study

The Journal of Chemical Physics ◽

10.1063/1.3126093 ◽

2009 ◽

Vol 130 (19) ◽

pp. 194709 ◽

Cited By ~ 11

Author(s):

Tetsuya Morishita

Keyword(s):

Molecular Dynamics ◽

Amorphous Silicon ◽

First Principles ◽

High Density ◽

Vibrational Properties ◽

First Principles Molecular Dynamics

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Structural, dynamic, electronic, and vibrational properties of flexible, intermediate, and stressed rigid As-Se glasses and liquids from first principles molecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.4901515 ◽

2014 ◽

Vol 141 (19) ◽

pp. 194506 ◽

Cited By ~ 22

Author(s):

M. Bauchy ◽

A. Kachmar ◽

M. Micoulaut

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Vibrational Properties ◽

Structural Dynamic ◽

First Principles Molecular Dynamics

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First Principles Molecular Dynamics and Photo Structural Response in Amorphous Silicon and Chalcogenide Glasses

Photo-Induced Metastability in Amorphous Semiconductors ◽

10.1002/9783527602544.ch15 ◽

2008 ◽

pp. 260-278 ◽

Cited By ~ 4

Author(s):

David Drabold ◽

Xiaodong Zhang ◽

Jun Li

Keyword(s):

Molecular Dynamics ◽

Amorphous Silicon ◽

First Principles ◽

Chalcogenide Glasses ◽

Structural Response ◽

First Principles Molecular Dynamics

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First principles molecular dynamics studies of elastic constants, ideal tensile strength, chemistry of crack initiation, and surface and cohesive energies in amorphous silicon

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2014.939735 ◽

2014 ◽

Vol 94 (25) ◽

pp. 2913-2936 ◽

Cited By ~ 4

Author(s):

Hossein M. Shodja ◽

Maryam Tabatabaei ◽

Keivan Esfarjani

Keyword(s):

Molecular Dynamics ◽

Tensile Strength ◽

Crack Initiation ◽

Amorphous Silicon ◽

Elastic Constants ◽

First Principles ◽

Cohesive Energies ◽

First Principles Molecular Dynamics

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Lattice and Hydrogen Dynamics in Hydrogenated Amorphous Silicon: First-Principles Molecular Dynamics versus Experiment

10.1063/1.3295483 ◽

2010 ◽

Author(s):

A. I. Shkrebtii ◽

I. M. Kupchak ◽

F. Gaspari ◽

Marília Caldas ◽

Nelson Studart

Keyword(s):

Molecular Dynamics ◽

Amorphous Silicon ◽

First Principles ◽

Hydrogenated Amorphous Silicon ◽

Hydrogenated Amorphous ◽

First Principles Molecular Dynamics

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A Study on Electrochemical Machining Method in Ultrapure Water-First-Principles Molecular-Dynamics Simulations of Etching Process on Al(001) Cathode Surface-

Journal of the Japan Society for Precision Engineering ◽

10.2493/jjspe.69.1332 ◽

2003 ◽

Vol 69 (9) ◽

pp. 1332-1336

Author(s):

Hidekazu GOTO ◽

Kikuji HIROSE ◽

Yasushi TOMA ◽

Itsuki KOBATA ◽

Takashi INADA ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Cathode Surface ◽

Electrochemical Machining ◽

Etching Process ◽

Ultrapure Water ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Thermal conductivity and transport modes in glassy GeTe4 by first-principles molecular dynamics

Physical Review Materials ◽

10.1103/physrevmaterials.3.105401 ◽

2019 ◽

Vol 3 (10) ◽

Cited By ~ 1

Author(s):

Thuy-Quynh Duong ◽

Carlo Massobrio ◽

Guido Ori ◽

Mauro Boero ◽

Evelyne Martin

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

First Principles ◽

Transport Modes ◽

First Principles Molecular Dynamics

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Dynamics of an atomic switch computed by first-principles molecular dynamics

Physical Review B ◽

10.1103/physrevb.52.5243 ◽

1995 ◽

Vol 52 (7) ◽

pp. 5243-5246 ◽

Cited By ~ 10

Author(s):

P. von Allmen ◽

K. Hess

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Atomic Switch ◽

First Principles Molecular Dynamics

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Alumina(0001)/Water Interface: Structural Properties and Infrared Spectra from First-Principles Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp4123002 ◽

2014 ◽

Vol 118 (17) ◽

pp. 8944-8951 ◽

Cited By ~ 33

Author(s):

Patrick Huang ◽

Tuan Anh Pham ◽

Giulia Galli ◽

Eric Schwegler

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Infrared Spectra ◽

First Principles ◽

Water Interface ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Anharmonic lattice dynamics ofAg2Ostudied by inelastic neutron scattering and first-principles molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.89.054306 ◽

2014 ◽

Vol 89 (5) ◽

Cited By ~ 23

Author(s):

Tian Lan ◽

Chen W. Li ◽

J. L. Niedziela ◽

Hillary Smith ◽

Douglas L. Abernathy ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Lattice Dynamics ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Anharmonic Lattice ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe 5 O 8

Crystal Research and Technology ◽

10.1002/crat.202100076 ◽

2021 ◽

pp. 2100076

Author(s):

Shijie Tan ◽

Wei Zhang ◽

Feng Jiao ◽

Yongchuan Zhou ◽

Lu Yang ◽

...

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Displacement Energy ◽

Threshold Displacement ◽

First Principles Molecular Dynamics

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