SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 20, 2010, Pages

Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene

(2) Lindsay, L a,b Broido, D A a

a BOSTON COLLEGE (United States)

b CHRISTOPHER NEWPORT UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77955748985 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.81.205441 Document Type: Article

Times cited : (1094)

References (57)

1
- 4243131384
- 10.1103/PhysRevLett.68.2806
- D. G. Onn, A. Witek, Y. Z. Qiu, T. R. Anthony, and W. F. Banholzer, Phys. Rev. Lett. 68, 2806 (1992). 10.1103/PhysRevLett.68.2806
- (1992) Phys. Rev. Lett. , vol.68 , pp. 2806
- Onn, D.G.¹ Witek, A.² Qiu, Y.Z.³ Anthony, T.R.⁴ Banholzer, W.F.⁵

2
- 0000590038
- 10.1103/PhysRevB.47.14850
- J. R. Olson, R. O. Pohl, J. W. Vandersande, A. Zoltan, T. R. Anthony, and W. F. Banholzer, Phys. Rev. B 47, 14850 (1993). 10.1103/PhysRevB.47.14850
- (1993) Phys. Rev. B , vol.47 , pp. 14850
- Olson, J.R.¹ Pohl, R.O.² Vandersande, J.W.³ Zoltan, A.⁴ Anthony, T.R.⁵ Banholzer, W.F.⁶

3
- 0001565752
- 10.1103/PhysRevLett.70.3764
- L. Wei, P. K. Kuo, R. L. Thomas, T. R. Anthony, and W. F. Banholzer, Phys. Rev. Lett. 70, 3764 (1993). 10.1103/PhysRevLett.70.3764
- (1993) Phys. Rev. Lett. , vol.70 , pp. 3764
- Wei, L.¹ Kuo, P.K.² Thomas, R.L.³ Anthony, T.R.⁴ Banholzer, W.F.⁵

4
- 36149018908
- 10.1103/PhysRev.127.694
- G. A. Slack, Phys. Rev. 127, 694 (1962). 10.1103/PhysRev.127.694
- (1962) Phys. Rev. , vol.127 , pp. 694
- Slack, G.A.¹

5
- 0000660964
- 10.1103/PhysRev.136.A575
- C. A. Klein and M. G. Holland, Phys. Rev. 136, A575 (1964). 10.1103/PhysRev.136.A575
- (1964) Phys. Rev. , vol.136 , pp. 575
- Klein, C.A.¹ Holland, M.G.²

6
- 42349087225
- 10.1021/nl0731872
- A. A. Balandin, S. Ghosh, W. Bao, I. Calizo, D. Teweldebrhan, F. Miao, and C. Ning Lau, Nano Lett. 8, 902 (2008). 10.1021/nl0731872
- (2008) Nano Lett. , vol.8 , pp. 902
- Balandin, A.A.¹ Ghosh, S.² Bao, W.³ Calizo, I.⁴ Teweldebrhan, D.⁵ Miao, F.⁶ Ning Lau, C.⁷

7
- 42349113188
- Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits
- DOI 10.1063/1.2907977
- S. Ghosh, I. Calizo, D. Teweldebrhan, E. P. Pokatilov, D. L. Nika, A. A. Balandin, W. Bao, F. Miao, and C. N. Lau, Appl. Phys. Lett. 92, 151911 (2008). 10.1063/1.2907977 (Pubitemid 351555695)
- (2008) Applied Physics Letters , vol.92 , Issue.15 , pp. 151911
- Ghosh, S.¹ Calizo, I.² Teweldebrhan, D.³ Pokatilov, E.P.⁴ Nika, D.L.⁵ Balandin, A.A.⁶ Bao, W.⁷ Miao, F.⁸ Lau, C.N.⁹

8
- 25844475654
- Thermal conductance and thermopower of an individual single-wall carbon nanotube
- DOI 10.1021/nl051044e
- C. Yu, L. Shi, Z. Yao, D. Li, and A. Majumdar, Nano Lett. 5, 1842 (2005). 10.1021/nl051044e (Pubitemid 41396175)
- (2005) Nano Letters , vol.5 , Issue.9 , pp. 1842-1846
- Yu, C.¹ Shi, L.² Yao, Z.³ Li, D.⁴ Majumdar, A.⁵

9
- 31544438604
- Thermal conductance of an individual single-wall carbon nanotube above room temperature
- DOI 10.1021/nl052145f
- E. Pop, D. Mann, Q. Wang, K. Goodson, and H. Dai, Nano Lett. 6, 96 (2006). 10.1021/nl052145f (Pubitemid 43166108)
- (2006) Nano Letters , vol.6 , Issue.1 , pp. 96-100
- Pop, E.¹ Mann, D.² Wang, Q.³ Goodson, K.⁴ Dai, H.⁵

10
- 0034296383
- Thermal conductivity of diamond and related materials from molecular dynamics simulations
- DOI 10.1063/1.1310223
- J. Che, T. Çaǧin, W. Deng, and W. Goddard III, J. Chem. Phys. 113, 6888 (2000). 10.1063/1.1310223 (Pubitemid 32027310)
- (2000) Journal of Chemical Physics , vol.113 , Issue.16 , pp. 6888-6900
- Che, J.¹ Cagin, T.² Deng, W.³ Goddard III, W.A.⁴

11
- 4243661498
- 10.1103/PhysRevB.65.064305
- A. Sparavigna, Phys. Rev. B 65, 064305 (2002). 10.1103/PhysRevB.65.064305
- (2002) Phys. Rev. B , vol.65 , pp. 064305
- Sparavigna, A.¹

12
- 70350655600
- 10.1103/PhysRevB.80.125203
- A. Ward, D. A. Broido, D. A. Stewart, and G. Deinzer, Phys. Rev. B 80, 125203 (2009). 10.1103/PhysRevB.80.125203
- (2009) Phys. Rev. B , vol.80 , pp. 125203
- Ward, A.¹ Broido, D.A.² Stewart, D.A.³ Deinzer, G.⁴

13
- 0028045774
- 10.1016/0008-6223(94)90096-5
- P. G. Klemens and D. F. Pedraza, Carbon 32, 735 (1994). 10.1016/0008-6223(94)90096-5
- (1994) Carbon , vol.32 , pp. 735
- Klemens, P.G.¹ Pedraza, D.F.²

14
- 23844474091
- Theory of the a-plane thermal conductivity of graphite
- DOI 10.1106/7FP2-QBLN-TJPA-NC66
- P. G. Klemens, J. Wide Bandgap Mater. 7, 332 (2000). 10.1106/7FP2-QBLN- TJPA-NC66 (Pubitemid 41161992)
- (2000) Journal of Wide Bandgap Materials , vol.7 , Issue.4 , pp. 332-339
- Klemens, P.G.¹

15
- 65549156874
- 10.1103/PhysRevB.79.155413
- D. L. Nika, E. P. Pokatilov, A. S. Askerov, and A. A. Balandin, Phys. Rev. B 79, 155413 (2009). 10.1103/PhysRevB.79.155413
- (2009) Phys. Rev. B , vol.79 , pp. 155413
- Nika, D.L.¹ Pokatilov, E.P.² Askerov, A.S.³ Balandin, A.A.⁴

16
- 65949089154
- 10.1063/1.3136860
- D. L. Nika, S. Ghosh, E. P. Pokatilov, and A. A. Balandin, Appl. Phys. Lett. 94, 203103 (2009). 10.1063/1.3136860
- (2009) Appl. Phys. Lett. , vol.94 , pp. 203103
- Nika, D.L.¹ Ghosh, S.² Pokatilov, E.P.³ Balandin, A.A.⁴

17
- 77950791436
- 10.1126/science.1184014
- J. H. Seol, I. Jo, A. L. Moore, L. Lindsay, Z. H. Aitken, M. T. Pettes, X. Li, Z. Yao, R. Huang, D. A. Broido, N. Mingo, R. S. Ruoff, and L. Shi, Science 328, 213 (2010). 10.1126/science.1184014
- (2010) Science , vol.328 , pp. 213
- Seol, J.H.¹ Jo, I.² Moore, A.L.³ Lindsay, L.⁴ Aitken, Z.H.⁵ Pettes, M.T.⁶ Li, X.⁷ Yao, Z.⁸ Huang, R.⁹ Broido, D.A.¹⁰ Mingo, N.¹¹ Ruoff, R.S.¹² Shi, L.¹³

18
- 67650373496
- 10.1021/nl901231s
- J. Hu, X. Ruan, and Y. P. Chen, Nano Lett. 9, 2730 (2009). 10.1021/nl901231s
- (2009) Nano Lett. , vol.9 , pp. 2730
- Hu, J.¹ Ruan, X.² Chen, Y.P.³

19
- 1642316023
- 10.1103/PhysRevB.69.073407
- J. X. Cao, X. H. Yan, Y. Xiao, and J. W. Ding, Phys. Rev. B 69, 073407 (2004). 10.1103/PhysRevB.69.073407
- (2004) Phys. Rev. B , vol.69 , pp. 073407
- Cao, J.X.¹ Yan, X.H.² Xiao, Y.³ Ding, J.W.⁴

20
- 23144439367
- Length dependence of carbon nanotube thermal conductivity and the problem of long waves
- DOI 10.1021/nl050714d
- N. Mingo and D. A. Broido, Nano Lett. 5, 1221 (2005). 10.1021/nl050714d (Pubitemid 41084395)
- (2005) Nano Letters , vol.5 , Issue.7 , pp. 1221-1225
- Mingo, N.¹ Broido, D.A.²

21
- 33645164966
- 10.1063/1.2185727
- J. Wang and J.-S. Wang, Appl. Phys. Lett. 88, 111909 (2006). 10.1063/1.2185727
- (2006) Appl. Phys. Lett. , vol.88 , pp. 111909
- Wang, J.¹ Wang, J.-S.²

22
- 35448965108
- 10.1103/PhysRevB.76.134110
- Y. Gu and Y. Chen, Phys. Rev. B 76, 134110 (2007). 10.1103/PhysRevB.76. 134110
- (2007) Phys. Rev. B , vol.76 , pp. 134110
- Gu, Y.¹ Chen, Y.²

23
- 70350721849
- 10.1103/PhysRevB.80.125407
- L. Lindsay, D. A. Broido, and N. Mingo, Phys. Rev. B 80, 125407 (2009). 10.1103/PhysRevB.80.125407
- (2009) Phys. Rev. B , vol.80 , pp. 125407
- Lindsay, L.¹ Broido, D.A.² Mingo, N.³

24
- 77954833245
- 10.1103/PhysRevB.81.045413
- J. A. Thomas, R. M. Iutzi, and A. J. H. McGaughey, Phys. Rev. B 81, 045413 (2010). 10.1103/PhysRevB.81.045413
- (2010) Phys. Rev. B , vol.81 , pp. 045413
- Thomas, J.A.¹ Iutzi, R.M.² McGaughey, A.J.H.³

25
- 0000765076
- 10.1103/PhysRevLett.84.4613
- S. Berber, Y.-K. Kwon, and D. Tománek, Phys. Rev. Lett. 84, 4613 (2000). 10.1103/PhysRevLett.84.4613
- (2000) Phys. Rev. Lett. , vol.84 , pp. 4613
- Berber, S.¹ Kwon, Y.-K.² Tománek, D.³

26
- 0343341620
- 10.1088/0957-4484/11/2/305
- J. Che, T. Çaǧin, and W. Goddard III, Nanotechnology 11, 65 (2000). 10.1088/0957-4484/11/2/305
- (2000) Nanotechnology , vol.11 , pp. 65
- Che, J.¹ Çaǧin, T.² Goddard Iii, W.³

27
- 3042790401
- Influence of chemisorption on the thermal conductivity of single-wall carbon nanotubes
- DOI 10.1021/nl049645d
- C. W. Padgett and D. W. Brenner, Nano Lett. 4, 1051 (2004). 10.1021/nl049645d (Pubitemid 38859979)
- (2004) Nano Letters , vol.4 , Issue.6 , pp. 1051-1053
- Padgett, C.W.¹ Brenner, D.W.²

28
- 16444363085
- Thermal conduction of carbon nanotubes using molecular dynamics
- DOI 10.1103/PhysRevB.71.085417, 085417
- Z. Yao, J.-S. Wang, B. Li, and G.-R. Liu, Phys. Rev. B 71, 085417 (2005). 10.1103/PhysRevB.71.085417 (Pubitemid 40476138)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.8 , pp. 0854171-0854178
- Yao, Z.¹ Wang, J.-S.² Li, B.³ Liu, G.-R.⁴

29
- 37549011354
- 10.1103/PhysRevLett.99.255502
- D. Donadio and G. Galli, Phys. Rev. Lett. 99, 255502 (2007). 10.1103/PhysRevLett.99.255502
- (2007) Phys. Rev. Lett. , vol.99 , pp. 255502
- Donadio, D.¹ Galli, G.²

30
- 34547130087
- Thermal conductivity of individual single-wall carbon nanotubes
- DOI 10.1115/1.2717242
- J. Lukes and H. Zhong, J. Heat Transfer 129, 705 (2007). 10.1115/1.2717242 (Pubitemid 47096476)
- (2007) Journal of Heat Transfer , vol.129 , Issue.6 , pp. 705-716
- Lukes, J.R.¹ Zhong, H.²

31
- 2942729805
- 10.1016/j.ssc.2004.04.042
- L. Wirtz and A. Rubio, Solid State Commun. 131, 141 (2004). 10.1016/j.ssc.2004.04.042
- (2004) Solid State Commun. , vol.131 , pp. 141
- Wirtz, L.¹ Rubio, A.²

32
- 33344464730
- First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
- DOI 10.1103/PhysRevB.71.205214
- N. Mounet and N. Marzari, Phys. Rev. B 71, 205214 (2005). 10.1103/PhysRevB.71.205214 (Pubitemid 43285165)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.20 , pp. 205214
- Mounet, N.¹ Marzari, N.²

33
- 0037437981
- 10.1103/PhysRevB.67.035401
- O. Dubay and G. Kresse, Phys. Rev. B 67, 035401 (2003). 10.1103/PhysRevB.67.035401
- (2003) Phys. Rev. B , vol.67 , pp. 035401
- Dubay, O.¹ Kresse, G.²

34
- 35548990688
- Phonon anharmonicities in graphite and graphene
- DOI 10.1103/PhysRevLett.99.176802
- N. Bonini, M. Lazzeri, N. Marzari, and F. Mauri, Phys. Rev. Lett. 99, 176802 (2007). 10.1103/PhysRevLett.99.176802 (Pubitemid 350006851)
- (2007) Physical Review Letters , vol.99 , Issue.17 , pp. 176802
- Bonini, N.¹ Lazzeri, M.² Marzari, N.³ Mauri, F.⁴

35
- 54949153738
- 10.1002/pssb.200879659
- N. Bonini, R. Rao, A. M. Rao, N. Marzari, and J. Menéndez, Phys. Status Solidi B 245, 2149 (2008). 10.1002/pssb.200879659
- (2008) Phys. Status Solidi B , vol.245 , pp. 2149
- Bonini, N.¹ Rao, R.² Rao, A.M.³ Marzari, N.⁴ Menéndez, J.⁵

36
- 77955721228
- (unpublished)
- S. Baroni (unpublished), http://www.quantum-espresso.org
- Baroni, S.¹

37
- 77955749569
- (unpublished)
- G. Kresse (unpublished), http://cms.mpi.univie.ac.at/vasp/
- Kresse, G.¹

38
- 77955722913
- (unpublished)
- X. Gonze (unpublished), http://www.abinit.org/
- Gonze, X.¹

39
- 4243420264
- 10.1103/PhysRevLett.61.2879
- J. Tersoff, Phys. Rev. Lett. 61, 2879 (1988). 10.1103/PhysRevLett.61.2879
- (1988) Phys. Rev. Lett. , vol.61 , pp. 2879
- Tersoff, J.¹

40
- 16444366630
- 10.1103/PhysRevB.37.6991
- J. Tersoff, Phys. Rev. B 37, 6991 (1988). 10.1103/PhysRevB.37.6991
- (1988) Phys. Rev. B , vol.37 , pp. 6991
- Tersoff, J.¹

41
- 33644817086
- 10.1103/PhysRevB.42.9458
- D. W. Brenner, Phys. Rev. B 42, 9458 (1990). 10.1103/PhysRevB.42.9458
- (1990) Phys. Rev. B , vol.42 , pp. 9458
- Brenner, D.W.¹

42
- 0037017208
- A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
- DOI 10.1088/0953-8984/14/4/312, PII S095389840231186X
- D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Mi, and S. B. Sinnott, J. Phys.: Condens. Matter 14, 783 (2002). 10.1088/0953-8984/14/ 4/312 (Pubitemid 34153770)
- (2002) Journal of Physics Condensed Matter , vol.14 , Issue.4 , pp. 783-802
- Brenner, D.W.¹ Shenderova, O.A.² Harrison, J.A.³ Stuart, S.J.⁴ Ni, B.⁵ Sinnott, S.B.⁶

43
- 64849086530
- 10.1103/PhysRevB.79.075442
- V. K. Tewary and B. Yang, Phys. Rev. B 79, 075442 (2009). 10.1103/PhysRevB.79.075442
- (2009) Phys. Rev. B , vol.79 , pp. 075442
- Tewary, V.K.¹ Yang, B.²

44
- 70049087213
- 10.1088/0022-3727/42/10/102002
- Q. Lu, M. Arroyo, and R. Huang, J. Phys. D 42, 102002 (2009). 10.1088/0022-3727/42/10/102002
- (2009) J. Phys. D , vol.42 , pp. 102002
- Lu, Q.¹ Arroyo, M.² Huang, R.³

45
- 0004161838
- Cambridge University Press, Cambridge
- W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran (Cambridge University Press, Cambridge, 1992).
- (1992) Numerical Recipes in Fortran
- Press, W.H.¹ Teukolsky, S.A.² Vetterling, W.T.³ Flannery, B.P.⁴

46
- 42549102214
- Three-phonon phase space and lattice thermal conductivity in semiconductors
- DOI 10.1088/0953-8984/20/16/165209, PII S0953898408715534
- L. Lindsay and D. A. Broido, J. Phys.: Condens. Matter 20, 165209 (2008). 10.1088/0953-8984/20/16/165209 (Pubitemid 351592385)
- (2008) Journal of Physics Condensed Matter , vol.20 , Issue.16 , pp. 165209
- Lindsay, L.¹ Broido, D.A.²

47
- 0002531253
- 10.1063/1.364102
- L. J. Porter, M. Yamaguchi, H. Kaburaki, and M. Tang, J. Appl. Phys. 81, 96 (1997). 10.1063/1.364102
- (1997) J. Appl. Phys. , vol.81 , pp. 96
- Porter, L.J.¹ Yamaguchi, M.² Kaburaki, H.³ Tang, M.⁴

48
- 33749158953
- 10.1103/PhysRevB.72.014308
- D. A. Broido, A. Ward, and N. Mingo, Phys. Rev. B 72, 014308 (2005). 10.1103/PhysRevB.72.014308
- (2005) Phys. Rev. B , vol.72 , pp. 014308
- Broido, D.A.¹ Ward, A.² Mingo, N.³

49
- 25944447947
- 10.1103/PhysRevB.43.6742
- A. Y. Liu, M. L. Cohen, K. C. Hass, and M. A. Tamor, Phys. Rev. B 43, 6742 (1991). 10.1103/PhysRevB.43.6742
- (1991) Phys. Rev. B , vol.43 , pp. 6742
- Liu, A.Y.¹ Cohen, M.L.² Hass, K.C.³ Tamor, M.A.⁴

50
- 1642585850
- 10.1103/PhysRevLett.92.075501
- J. Maultzsch, S. Reich, C. Thomsen, H. Requardt, and P. Ordejón, Phys. Rev. Lett. 92, 075501 (2004). 10.1103/PhysRevLett.92.075501
- (2004) Phys. Rev. Lett. , vol.92 , pp. 075501
- Maultzsch, J.¹ Reich, S.² Thomsen, C.³ Requardt, H.⁴ Ordejón, P.⁵

51
- 34547542870
- 10.1103/PhysRevB.76.035439
- M. Mohr, J. Maultzsch, E. Dobardšić, S. Reich, I. Miločević, M. Damnjanović, A. Bosak, M. Krisch, and C. Thomsen, Phys. Rev. B 76, 035439 (2007). 10.1103/PhysRevB.76.035439
- (2007) Phys. Rev. B , vol.76 , pp. 035439
- Mohr, M.¹ Maultzsch, J.² Dobardšić, E.³ Reich, S.⁴ Miločević, I.⁵ Damnjanović, M.⁶ Bosak, A.⁷ Krisch, M.⁸ Thomsen, C.⁹

52
- 29744443266
- Improved long-range reactive bond-order potential for carbon. I. Construction
- DOI 10.1103/PhysRevB.72.214102, 214102
- J. H. Los, L. M. Ghiringhelli, E. J. Meijer, and A. Fasolino, Phys. Rev. B 72, 214102 (2005). 10.1103/PhysRevB.72.214102 (Pubitemid 43029250)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.21 , pp. 1-14
- Los, J.H.¹ Ghiringhelli, L.M.² Meijer, E.J.³ Fasolino, A.⁴

53
- 36149028236
- 10.1103/PhysRev.100.544
- Y. Baskin and L. Meyer, Phys. Rev. 100, 544 (1955). 10.1103/PhysRev.100. 544
- (1955) Phys. Rev. , vol.100 , pp. 544
- Baskin, Y.¹ Meyer, L.²

54
- 77955752352
- Lawrence Berkeley Laboratory Report No. LBL-3720 (unpublished).
- Compilation of L. Brewer, Lawrence Berkeley Laboratory Report No. LBL-3720 (unpublished).
- Brewer, L.¹

55
- 0003432018
- Plenum, New York
- Y. S. Touloukian, R. K. Kirby, R. E. Taylor, and T. Y. R. Lee, Thermophysical Properties of Matter (Plenum, New York, 1977), Vol. 13.
- (1977) Thermophysical Properties of Matter , vol.13
- Touloukian, Y.S.¹ Kirby, R.K.² Taylor, R.E.³ Lee, T.Y.R.⁴

56
- 28844432673
- Negative differential conductance and hot phonons in suspended nanotube molecular wires
- DOI 10.1103/PhysRevLett.95.155505, 155505
- E. Pop, D. Mann, J. Cao, Q. Wang, K. Goodson, and H. Dai, Phys. Rev. Lett. 95, 155505 (2005). 10.1103/PhysRevLett.95.155505 (Pubitemid 41777519)
- (2005) Physical Review Letters , vol.95 , Issue.15 , pp. 1-4
- Pop, E.¹ Mann, D.² Cao, J.³ Wang, Q.⁴ Goodson, K.⁵ Dai, H.⁶

57
- 77955725691
- In Ref., the results for calculated thermal conductivity values for suspended SLG using the Tersoff EIP are slightly lower than the ones presented here because those results include phonon scattering by isotopic impurities.
- In Ref., the results for calculated thermal conductivity values for suspended SLG using the Tersoff EIP are slightly lower than the ones presented here because those results include phonon scattering by isotopic impurities.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.