Shell model extension to the valence force field: application to single-layer black phosphorus

Nicholas W. Hackney; Damien Tristant; Andrew Cupo; Colin Daniels; Vincent Meunier

doi:10.1039/c8cp05923c

Shell model extension to the valence force field: application to single-layer black phosphorus

Physical Chemistry Chemical Physics ◽

10.1039/c8cp05923c ◽

2019 ◽

Vol 21 (1) ◽

pp. 322-328 ◽

Cited By ~ 5

Author(s):

Nicholas W. Hackney ◽

Damien Tristant ◽

Andrew Cupo ◽

Colin Daniels ◽

Vincent Meunier

Keyword(s):

Force Field ◽

Shell Model ◽

Field Model ◽

Single Layer ◽

Field Application ◽

Black Phosphorus ◽

Electronic Polarization ◽

Valence Force ◽

Valence Force Field ◽

Model Extension

We propose an extension of the traditional valence force field model to allow for the effect of electronic polarization to be included in the inter-atomic potential.

Parametrization of Stillinger–Weber potential based on valence force field model: application to single-layer MoS2and black phosphorus

Nanotechnology ◽

10.1088/0957-4484/26/31/315706 ◽

2015 ◽

Vol 26 (31) ◽

pp. 315706 ◽

Cited By ~ 123

Author(s):

Jin-Wu Jiang

Keyword(s):

Force Field ◽

Field Model ◽

Single Layer ◽

Black Phosphorus ◽

Model Application ◽

Valence Force ◽

Valence Force Field ◽

Weber Potential

Reply to the Comment on ‘Parametrization of Stillinger–Weber potential based on valence force field model: application to single-layer MoS2and black phosphorus’

Nanotechnology ◽

10.1088/0957-4484/27/23/238002 ◽

2016 ◽

Vol 27 (23) ◽

pp. 238002 ◽

Cited By ~ 2

Author(s):

Jin-Wu Jiang

Keyword(s):

Force Field ◽

Field Model ◽

Single Layer ◽

Black Phosphorus ◽

Model Application ◽

Valence Force ◽

Valence Force Field ◽

Weber Potential

Comment on ‘Parametrization of Stillinger–Weber potential based on a valence force field model: application to single-layer MoS2and black phosphorus’

Nanotechnology ◽

10.1088/0957-4484/27/23/238001 ◽

2016 ◽

Vol 27 (23) ◽

pp. 238001 ◽

Cited By ~ 5

Author(s):

Daniel Midtvedt ◽

Alexander Croy

Keyword(s):

Force Field ◽

Field Model ◽

Single Layer ◽

Black Phosphorus ◽

Model Application ◽

Valence Force ◽

Valence Force Field ◽

Weber Potential

Valence-force model and nanomechanics of single-layer phosphorene

Physical Chemistry Chemical Physics ◽

10.1039/c6cp04361e ◽

2016 ◽

Vol 18 (33) ◽

pp. 23312-23319 ◽

Cited By ~ 7

Author(s):

Daniel Midtvedt ◽

Alexander Croy

Keyword(s):

Force Field ◽

Continuum Model ◽

Field Model ◽

Single Layer ◽

Force Model ◽

Valence Force ◽

Valence Force Field

An improved valence force field model and continuum model for phosphorene enables modeling of macroscopic phosphorene structures.

Lattice Dynamics of Black Phosphorus. I. Valence Force Field Model

Journal of the Physical Society of Japan ◽

10.1143/jpsj.55.1213 ◽

1986 ◽

Vol 55 (4) ◽

pp. 1213-1223 ◽

Cited By ~ 38

Author(s):

Chioko Kaneta ◽

Hiroshi Katayama-Yoshida ◽

Akira Morita

Keyword(s):

Force Field ◽

Lattice Dynamics ◽

Field Model ◽

Black Phosphorus ◽

Valence Force ◽

Valence Force Field

Enhanced valence force field model for the lattice properties of gallium arsenide

Physical Review B ◽

10.1103/physrevb.84.155204 ◽

2011 ◽

Vol 84 (15) ◽

Cited By ~ 22

Author(s):

Sebastian Steiger ◽

Mehdi Salmani-Jelodar ◽

Denis Areshkin ◽

Abhijeet Paul ◽

Tillmann Kubis ◽

...

Keyword(s):

Gallium Arsenide ◽

Force Field ◽

Field Model ◽

Valence Force ◽

Valence Force Field

Non-Central Forces and Stability of the ANB8–N-Tetrahedral Compounds. I. Bond Charges and the Valence-Force-Field Model

physica status solidi (b) ◽

10.1002/pssb.2220750105 ◽

1976 ◽

Vol 75 (1) ◽

pp. 73-77 ◽

Cited By ~ 2

Author(s):

A. P. Rusakov ◽

M. V. Anfimov

Keyword(s):

Force Field ◽

Field Model ◽

Valence Force ◽

Valence Force Field ◽

Central Forces

Thermomechanical properties of graphene: valence force field model approach

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/24/17/175303 ◽

2012 ◽

Vol 24 (17) ◽

pp. 175303 ◽

Cited By ~ 11

Author(s):

A Lajevardipour ◽

M Neek-Amal ◽

F M Peeters

Keyword(s):

Force Field ◽

Field Model ◽

Thermomechanical Properties ◽

Valence Force ◽

Valence Force Field ◽

Model Approach

Continuum strain-gradient elasticity from discrete valence force field model for diamond-like crystals

Micromechanics of Defects in Solids ◽

10.1007/978-94-007-4626-8_10 ◽

2012 ◽

pp. 95-102

Author(s):

A. Danescu ◽

G. Grenet

Keyword(s):

Force Field ◽

Strain Gradient ◽

Field Model ◽

Gradient Elasticity ◽

Strain Gradient Elasticity ◽

Valence Force ◽

Valence Force Field

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

Scientific Reports ◽

10.1038/srep45516 ◽

2017 ◽

Vol 7 (1) ◽

Cited By ~ 21

Author(s):

Yu-Ping Zhou ◽

Jin-Wu Jiang

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Field Model ◽

Valence Force ◽

Valence Force Field ◽

Dynamics Simulations ◽

Weber Potential