SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 132, Issue 2, 2010, Pages

Structural stability of polymeric nitrogen: A first-principles investigation

(6) Wang, Xiaoli a Tian, Fubo a Wang, Liancheng a Cui, Tian a Liu, Bingbing a Zou, Guangtian a

a JILIN UNIVERSITY (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; DYNAMICAL STABILITY; FIRST-PRINCIPLES INVESTIGATIONS; HIGH ENERGY DENSITY MATERIALS; POLYMERIC STRUCTURES; POTENTIAL APPLICATIONS; PRESSURE RANGES; SOLID NITROGEN; STRUCTURAL STABILITIES;

DENSITY FUNCTIONAL THEORY; FUNCTIONAL POLYMERS; NITROGEN; STABILITY;

PHASE TRANSITIONS;

EID: 74549118953 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3290954 Document Type: Article

Times cited : (84)

References (29)

1
- 0001470124
- 0163-1829,. 10.1103/PhysRevB.46.14419
- C. Mailhiot, L. H. Yang, and A. K. McMahan, Phys. Rev. B 0163-1829 46, 14419 (1992). 10.1103/PhysRevB.46.14419
- (1992) Phys. Rev. B , vol.46 , pp. 14419
- Mailhiot, C.¹ Yang, L.H.² McMahan, A.K.³

2
- 0001750762
- 0031-9007,. 10.1103/PhysRevLett.54.1929
- A. K. McMahan and R. LeSar, Phys. Rev. Lett. 0031-9007 54, 1929 (1985). 10.1103/PhysRevLett.54.1929
- (1985) Phys. Rev. Lett. , vol.54 , pp. 1929
- McMahan, A.K.¹ Lesar, R.²

3
- 12444254736
- 0163-1829,. 10.1103/PhysRevB.34.5082
- R. M. Martin and R. J. Needs, Phys. Rev. B 0163-1829 34, 5082 (1986). 10.1103/PhysRevB.34.5082
- (1986) Phys. Rev. B , vol.34 , pp. 5082
- Martin, R.M.¹ Needs, R.J.²

4
- 0004430194
- 0163-1829,. 10.1103/PhysRevB.48.9327
- T. W. Barbee, Phys. Rev. B 0163-1829 48, 9327 (1993). 10.1103/PhysRevB.48.9327
- (1993) Phys. Rev. B , vol.48 , pp. 9327
- Barbee, T.W.¹

5
- 0034249067
- Optical evidence for a nonmolecular phase of nitrogen above 150 GPa
- DOI 10.1103/PhysRevLett.85.1262
- A. F. Goncharov, E. Gregoryanz, H. -K. Mao, Z. Liu, and R. J. Hemley, Phys. Rev. Lett. 0031-9007 85, 1262 (2000). 10.1103/PhysRevLett.85.1262 (Pubitemid 30912822)
- (2000) Physical Review Letters , vol.85 , Issue.6 , pp. 1262-1265
- Goncharov, A.F.¹ Gregoryanz, E.² Mao, H.-K.³ Liu, Z.⁴ Hemley, R.J.⁵

6
- 0035837261
- Semiconducting non-molecular nitrogen up to 240 GPa and its low-pressure stability
- DOI 10.1038/35075531
- M. I. Eremets, R. J. Hemley, H. -K. Mao, and E. Gregoryanz, Nature (London) 0028-0836 411, 170 (2001). 10.1038/35075531 (Pubitemid 32457799)
- (2001) Nature , vol.411 , Issue.6834 , pp. 170-174
- Eremets, M.I.¹ Hemley, R.J.² Mao, H.-K.³ Gregoryanz, E.⁴

7
- 33749998197
- 0026-8976,. 10.1080/00268970500417325
- J. Uddin, V. Barone, and G. E. Scuseria, Mol. Phys. 0026-8976 104, 745 (2006). 10.1080/00268970500417325
- (2006) Mol. Phys. , vol.104 , pp. 745
- Uddin, J.¹ Barone, V.² Scuseria, G.E.³

8
- 11144262931
- 0031-9007,. 10.1103/PhysRevLett.93.125501
- W. D. Mattson, D. Sanchez-Portal, S. Chiesa, and R. M. Martin, Phys. Rev. Lett. 0031-9007 93, 125501 (2004). 10.1103/PhysRevLett.93.125501
- (2004) Phys. Rev. Lett. , vol.93 , pp. 125501
- Mattson, W.D.¹ Sanchez-Portal, D.² Chiesa, S.³ Martin, R.M.⁴

9
- 29744432822
- Layered single-bonded nonmolecular phase of nitrogen from first-principles simulation
- DOI 10.1103/PhysRevB.72.214108, 214108
- F. Zahariev, A. Hu, J. Hooper, F. Zhang, and T. Woo, Phys. Rev. B 0163-1829 72, 214108 (2005). 10.1103/PhysRevB.72.214108 (Pubitemid 43029300)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.21 , pp. 1-6
- Zahariev, F.¹ Hu, A.² Hooper, J.³ Zhang, F.⁴ Woo, T.⁵

10
- 33745634670
- Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
- DOI 10.1063/1.2210932
- A. R. Oganov and C. W. Glass, J. Chem. Phys. 0021-9606 124, 244704 (2006). 10.1063/1.2210932 (Pubitemid 43993036)
- (2006) Journal of Chemical Physics , vol.124 , Issue.24 , pp. 244704
- Oganov, A.R.¹ Glass, C.W.²

11
- 34247171713
- 0163-1829,. 10.1103/PhysRevB.75.140101
- F. Zahariev, J. Hooper, S. Alavi, F. Zhang, and T. K. Woo, Phys. Rev. B 0163-1829 75, 140101 (2007). 10.1103/PhysRevB.75.140101
- (2007) Phys. Rev. B , vol.75 , pp. 140101
- Zahariev, F.¹ Hooper, J.² Alavi, S.³ Zhang, F.⁴ Woo, T.K.⁵

12
- 3342954729
- 1476-1122,. 10.1038/nmat1146
- M. I. Eremets, A. G. Gavriliuk, I. A. Trojan, D. A. Dzivenko, and R. Boehler, Nature Mater. 1476-1122 3, 558 (2004). 10.1038/nmat1146
- (2004) Nature Mater. , vol.3 , pp. 558
- Eremets, M.I.¹ Gavriliuk, A.G.² Trojan, I.A.³ Dzivenko, D.A.⁴ Boehler, R.⁵

13
- 4243943295
- 0031-9007,. 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

14
- 0000056933
- 0009-2614,. 10.1016/S0009-2614(99)01271-3
- T. K. Ha, O. Suleimenov, and M. T. Nguyen, Chem. Phys. Lett. 0009-2614 315, 327 (1999). 10.1016/S0009-2614(99)01271-3
- (1999) Chem. Phys. Lett. , vol.315 , pp. 327
- Ha, T.K.¹ Suleimenov, O.² Nguyen, M.T.³

15
- 0037198788
- 12 clusters
- DOI 10.1021/jp020110n
- Q. S. Li and J. J. Zhao, J. Phys. Chem. A 1089-5639 106, 5367 (2002). 10.1021/jp020110n (Pubitemid 35289978)
- (2002) Journal of Physical Chemistry A , vol.106 , Issue.21 , pp. 5367-5372
- Li, Q.S.¹ Zhao, J.F.²

16
- 44349186650
- A new phase of solid iodine with different molecular covalent bonds
- DOI 10.1073/pnas.0801280105
- Q. Zeng, Z. He, X. San, Y. Ma, F. Tian, T. Cui, B. Liu, G. Zou, and M. Ho-kwang, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 105, 4999 (2008). 10.1073/pnas.0801280105 (Pubitemid 351738498)
- (2008) Proceedings of the National Academy of Sciences of the United States of America , vol.105 , Issue.13 , pp. 4999-5001
- Zeng, Q.¹ He, Z.² San, X.³ Ma, Y.⁴ Tian, F.⁵ Cui, T.⁶ Liu, B.⁷ Zou, G.⁸ Mao, H.-K.⁹

17
- 0037171005
- First-principles simulation: Ideas, illustrations and the CASTEP code
- DOI 10.1088/0953-8984/14/11/301, PII S0953898402328315
- M. D. Segall, P. L. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter 0953-8984 14, 2717 (2002). 10.1088/0953-8984/14/11/301 (Pubitemid 34288361)
- (2002) Journal of Physics Condensed Matter , vol.14 , Issue.11 , pp. 2717-2744
- Segall, M.D.¹ Lindan, P.J.D.² Probert, M.J.³ Pickard, C.J.⁴ Hasnip, P.J.⁵ Clark, S.J.⁶ Payne, M.C.⁷

18
- 0003407547
- K. Parlinski, computer code PHONON, http://wolf.ifj.edu.pl/phonon.
- Computer Code PHONON
- Parlinski, K.¹

19
- 34648843609
- Prediction of a new layered phase of nitrogen from first-principles simulations
- DOI 10.1088/0953-8984/19/42/425226, PII S0953898407568104
- X. L. Wang, Z. He, Y. M. Ma, T. Cui, Z. M. Liu, B. B. Liu, J. F. Li, and G. T. Zou, J. Phys.: Condens. Matter 0953-8984 19, 425226 (2007). 10.1088/0953-8984/19/42/425226 (Pubitemid 47463966)
- (2007) Journal of Physics Condensed Matter , vol.19 , Issue.42 , pp. 425226
- Wang, X.L.¹ He, Z.² Ma, Y.M.³ Cui, T.⁴ Liu, Z.M.⁵ Liu, B.B.⁶ Li, J.F.⁷ Zou, G.T.⁸

20
- 70349935019
- 0163-1829,. 10.1103/PhysRevB.80.104117
- J. Hooper, A. Hu, F. Zhang, and T. K. Woo, Phys. Rev. B 0163-1829 80, 104117 (2009). 10.1103/PhysRevB.80.104117
- (2009) Phys. Rev. B , vol.80 , pp. 104117
- Hooper, J.¹ Hu, A.² Zhang, F.³ Woo, T.K.⁴

21
- 34250614350
- New structures of dense nitrogen: Pathways to the polymeric phase
- DOI 10.1016/j.cplett.2007.05.053, PII S0009261407006409
- R. Caracas and R. J. Hemley, Chem. Phys. Lett. 0009-2614 442, 65 (2007). 10.1016/j.cplett.2007.05.053 (Pubitemid 46935094)
- (2007) Chemical Physics Letters , vol.442 , Issue.1-3 , pp. 65-70
- Caracas, R.¹ Hemley, R.J.²

22
- 62449169431
- 0031-9007,. 10.1103/PhysRevLett.102.065501
- Y. Ma, A. R. Oganov, Z. Li, Y. Xie, and J. Kotakoski, Phys. Rev. Lett. 0031-9007 102, 065501 (2009). 10.1103/PhysRevLett.102.065501
- (2009) Phys. Rev. Lett. , vol.102 , pp. 065501
- Ma, Y.¹ Oganov, A.R.² Li, Z.³ Xie, Y.⁴ Kotakoski, J.⁵

23
- 0003496090
- Clarendon, Oxford
- M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Clarendon, Oxford, 1956).
- (1956) Dynamical Theory of Crystal Lattices
- Born, M.¹ Huang, K.²

24
- 0035170322
- Synthesis and design of superhard materials
- DOI 10.1146/annurev.matsci.31.1.1
- J. Haines, J. M. Ĺger, and G. Bocquillon, Annu. Rev. Mater. Res. 1531-7331 31, 1 (2001). 10.1146/annurev.matsci.31.1.1 (Pubitemid 33073844)
- (2001) Annual Review of Materials Science , vol.31 , pp. 1-23
- Haines, J.¹ Leger, J.M.² Bocquillon, G.³

25
- 0018530110
- Hashin-Shtrikman bounds on the effective elastic moduli of polycrystals with orthorhombic symmetry
- DOI 10.1063/1.325768
- J. P. Watt, J. Appl. Phys. 0021-8979 50, 6290 (1979). 10.1063/1.325768 (Pubitemid 10476084)
- (1979) Journal of Applied Physics , vol.50 , Issue.10 , pp. 6290-6295
- Watt J.Peter¹

26
- 0018989446
- Clarification of the hashin-shtrikman bounds on the effective elastic moduli of polycrystals with hexagonal, trigonal, and tetragonal symmetries
- DOI 10.1063/1.327804
- J. P. Watt and L. Peselnick, J. Appl. Phys. 0021-8979 51, 1525 (1980). 10.1063/1.327804 (Pubitemid 11431835)
- (1980) Journal of Applied Physics , vol.51 , Issue.3 , pp. 1525-1531
- Watt J.Peter¹ Peselnick Louis²

27
- 0018991735
- Hashin-Shtrikman bounds on the effective elastic moduli of polycrystals with monoclinic symmetry
- DOI 10.1063/1.327803
- J. P. Watt, J. Appl. Phys. 0021-8979 51, 1520 (1980). 10.1063/1.327803 (Pubitemid 11431834)
- (1980) Journal of Applied Physics , vol.51 , Issue.3 , pp. 1520-1524
- Watt J.Peter¹

28
- 0001613377
- 0031-9007,. 10.1103/PhysRevLett.3.412
- W. Cochran, Phys. Rev. Lett. 0031-9007 3, 412 (1959). 10.1103/PhysRevLett.3.412
- (1959) Phys. Rev. Lett. , vol.3 , pp. 412
- Cochran, W.¹

29
- 0141593681
- 0163-1829,. 10.1103/PhysRevB.68.024110
- M. M. G. Alemany and J. L. Martins, Phys. Rev. B 0163-1829 68, 024110 (2003). 10.1103/PhysRevB.68.024110
- (2003) Phys. Rev. B , vol.68 , pp. 024110
- Alemany, M.M.G.¹ Martins, J.L.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.