Parametrization of Stillinger-Weber potential based on valence force field model: Application to single-layer MoS2 and black phosphorus

Nanotechnology

Volumn 26, Issue 31, 2015, Pages

  Jiang, Jin Wu ^a  

^a SHANGHAI UNIVERSITY   (China)

Author keywords

black phosphorus; molecular dynamics simulation; MoS2; Stillinger Weber potential

Indexed keywords

GEOMETRY; MOLYBDENUM COMPOUNDS; PHONONS; PHOSPHORUS;

COVALENT MATERIALS; EQUILIBRIUM CONDITIONS; EQUILIBRIUM CONFIGURATION; MECHANICAL BEHAVIOR; MOLECULAR DYNAMICS SIMULATIONS; SIMULATION PACKAGES; STILLINGER-WEBER POTENTIALS; VALENCE-FORCE FIELD MODEL;

MOLECULAR DYNAMICS;

EID: 84937051739     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/26/31/315706     Document Type: Article

References (28)

1. Wakabayashi N, Smith H G and Nicklow R M 1975 Phys. Rev. B 12 659
2. Kaneta C, Katayama-Yoshida H and Morita A 1982 Solid State Commun. 44 613
3. Aizawa T, Souda R, Otani S and Ishizawa Y 1990 Phys. Rev. B 42 11469
4. Stillinger F H and Weber T A 1985 Phys. Rev. B 31 5262
5. Jiang J-W, Park H S and Rabczuk T 2013 J. Appl. Phys. 114 064307
6. Jiang J-W, Rabczuk T and Park H S 2015 Nanoscale 7 6059
7. Tersoff J 1986 Phys. Rev. Lett. 56 632
8. Tersoff J 1988 Phys. Rev. B 37 6991
9. Tersoff J 1988 Phys. Rev. B 38 9902
10. Tersoff J 1988 Phys. Rev. Lett. 61 2879
11. Tersoff J 1989 Phys. Rev. B 39 5566
12. Jiang J-W and Wang J-S 2011 Europhys. Lett. 96 16003
13. Jiang J-W and Wang J-S 2011 Phys. Rev. B 84 085439
14. Brenner D W, Shenderova O A, Harrison J A, Stuart S J, Ni B and Sinnott S B 2002 J. Phys.: Condens. Matter. 14 783
15. Liang T, Phillpot S R and Sinnott S B 2009 Phys. Rev. B 79 245110
16. Lindsay L and Broido D A 2010 Phys. Rev. B 81 205441
17. Cooper R C, Lee C, Marianetti C A, Wei X, Hone J and Kysar J W 2013 Phys. Rev. B 87 035423
18. L 2012 http://www.cs.sandia.gov/s~jplimp/lammps.html
19. Gale J D 1997 J. Chem. Soc., Faraday Trans. 93 629
20. Nose S 1984 J. Chem. Phys. 81 511
21. Hoover W G 1985 Phys. Rev. A 31 1695
22. Born M and Huang K 1954 Dynamical Theory of Crystal Lattices (Oxford: Oxford University Press)
23. Cooper R C, Lee C, Marianetti C A, Wei X, Hone J and Kysar J W 2013 Phys. Rev. B 87 079901
24. Bertolazzi S, Brivio J and Kis A 2011 ACS Nano 5 9703
25. Wei Q and Peng X 2014 Appl. Phys. Lett. 104 251915
26. Zhu Z and Tomanek D 2014 Phys. Rev. Lett. 112 176802
27. Takao Y 1981 Physica B 105 580
28. Qiao J, Kong X, Hu Z-X, Yang F and Ji W 2014 Nat. Commun. 5 4475