SCOPUS 정보 검색 플랫폼

Physical Review Letters

Volumn 116, Issue 2, 2016, Pages

Two Dimensional Ice from First Principles: Structures and Phase Transitions

(5) Chen, Ji a,b Schusteritsch, Georg b,c Pickard, Chris J b,c Salzmann, Christoph G b Michaelides, Angelos a,b

a LONDON CENTRE FOR NANOTECHNOLOGY (United Kingdom)

b UNIVERSITY COLLEGE LONDON (United Kingdom)

c UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

GRAPHENE;

AMBIENT PRESSURES; CLOUD MICROPHYSICS; CONFINING PRESSURES; FIRST PRINCIPLES; FIRST-PRINCIPLES STUDY; FUNCTION OF PRESSURE; LOW DIMENSIONAL; MONOLAYER STRUCTURES;

ICE;

EID: 84954419052 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.116.025501 Document Type: Article

Times cited : (203)

References (59)

1
- 26944481188
- D. Chandler, Nature (London) 437, 640 (2005). NATUAS 0028-0836 10.1038/nature04162
- (2005) Nature (London) , vol.437 , pp. 640
- Chandler, D.¹

2
- 77956274107
- K. Xu, P. Cao, and J. R. Heath, Science 329, 1188 (2010). SCIEAS 0036-8075 10.1126/science.1192907
- (2010) Science , vol.329 , pp. 1188
- Xu, K.¹ Cao, P.² Heath, J.R.³

3
- 84864327100
- J. Carrasco, A. Hodgson, and A. Michaelides, Nat. Mater. 11, 667 (2012). NMAACR 1476-1122 10.1038/nmat3354
- (2012) Nat. Mater. , vol.11 , pp. 667
- Carrasco, J.¹ Hodgson, A.² Michaelides, A.³

4
- 84931748553
- Y. Gao, S. Kim, S. Zhou, H.-C. Chiu, D. Nlias, C. Berger, W. deHeer, L. Polloni, R. Sordan, A. Bongiorno, and E. Riedo, Nat. Mater. 14, 714 (2015). NMAACR 1476-1122 10.1038/nmat4322
- (2015) Nat. Mater. , vol.14 , pp. 714
- Gao, Y.¹ Kim, S.² Zhou, S.³ Chiu, H.-C.⁴ Nlias, D.⁵ Berger, C.⁶ DeHeer, W.⁷ Polloni, L.⁸ Sordan, R.⁹ Bongiorno, A.¹⁰ Riedo, E.¹¹

5
- 2542494446
- J. Yang, S. Meng, L. F. Xu, and E. G. Wang, Phys. Rev. Lett. 92, 146102 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.146102
- (2004) Phys. Rev. Lett. , vol.92 , pp. 146102
- Yang, J.¹ Meng, S.² Xu, L.F.³ Wang, E.G.⁴

6
- 65349090991
- J. Carrasco, A. Michaelides, M. Forster, S. Haq, R. Raval, and A. Hodgson, Nat. Mater. 8, 427 (2009). NMAACR 1476-1122 10.1038/nmat2403
- (2009) Nat. Mater. , vol.8 , pp. 427
- Carrasco, J.¹ Michaelides, A.² Forster, M.³ Haq, S.⁴ Raval, R.⁵ Hodgson, A.⁶

7
- 79251492052
- M. Forster, R. Raval, A. Hodgson, J. Carrasco, and A. Michaelides, Phys. Rev. Lett. 106, 046103 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.046103
- (2011) Phys. Rev. Lett. , vol.106 , pp. 046103
- Forster, M.¹ Raval, R.² Hodgson, A.³ Carrasco, J.⁴ Michaelides, A.⁵

8
- 77954556671
- S. Nie, P. J. Feibelman, N. C. Bartelt, and K. Thürmer, Phys. Rev. Lett. 105, 026102 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.105.026102
- (2010) Phys. Rev. Lett. , vol.105 , pp. 026102
- Nie, S.¹ Feibelman, P.J.² Bartelt, N.C.³ Thürmer, K.⁴

9
- 84901759684
- J. Chen, J. Guo, X. Meng, J. Peng, J. Sheng, L. Xu, Y. Jiang, X.-Z. Li, and E.-G. Wang, Nat. Commun. 5, 4056 (2014). NCAOBW 2041-1723 10.1038/ncomms5056
- (2014) Nat. Commun. , vol.5 , pp. 4056
- Chen, J.¹ Guo, J.² Meng, X.³ Peng, J.⁴ Sheng, J.⁵ Xu, L.⁶ Jiang, Y.⁷ Li, X.-Z.⁸ Wang, E.-G.⁹

10
- 84925799093
- G. Algara-Siller, O. Lehtinen, F. C. Wang, R. R. Nair, U. Kaiser, H. A. Wu, A. K. Geim, and I. V. Grigorieva, Nature (London) 519, 443 (2015). NATUAS 0028-0836 10.1038/nature14295
- (2015) Nature (London) , vol.519 , pp. 443
- Algara-Siller, G.¹ Lehtinen, O.² Wang, F.C.³ Nair, R.R.⁴ Kaiser, U.⁵ Wu, H.A.⁶ Geim, A.K.⁷ Grigorieva, I.V.⁸

11
- 84921327354
- Q. Li, J. Song, F. Besenbacher, and M. Dong, Acc. Chem. Res. 48, 119 (2015). ACHRE4 0001-4842 10.1021/ar500306w
- (2015) Acc. Chem. Res. , vol.48 , pp. 119
- Li, Q.¹ Song, J.² Besenbacher, F.³ Dong, M.⁴

12
- 0034735786
- K. Koga, H. Tanaka, and X. C. Zeng, Nature (London) 408, 564 (2000). NATUAS 0028-0836 10.1038/35046035
- (2000) Nature (London) , vol.408 , pp. 564
- Koga, K.¹ Tanaka, H.² Zeng, X.C.³

13
- 0042530271
- R. Zangi and A. E. Mark, Phys. Rev. Lett. 91, 025502 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.025502
- (2003) Phys. Rev. Lett. , vol.91 , pp. 025502
- Zangi, R.¹ Mark, A.E.²

14
- 17444419445
- K. Koga and H. Tanaka, J. Chem. Phys. 122, 104711 (2005). JCPSA6 0021-9606 10.1063/1.1861879
- (2005) J. Chem. Phys. , vol.122 , pp. 104711
- Koga, K.¹ Tanaka, H.²

15
- 61549086250
- N. Giovambattista, P. J. Rossky, and P. G. Debenedetti, Phys. Rev. Lett. 102, 050603 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.050603
- (2009) Phys. Rev. Lett. , vol.102 , pp. 050603
- Giovambattista, N.¹ Rossky, P.J.² Debenedetti, P.G.³

16
- 77956341455
- S. Han, M. Y. Choi, P. Kumar, and H. E. Stanley, Nat. Phys. 6, 685 (2010). NPAHAX 1745-2473 10.1038/nphys1708
- (2010) Nat. Phys. , vol.6 , pp. 685
- Han, S.¹ Choi, M.Y.² Kumar, P.³ Stanley, H.E.⁴

17
- 78049251891
- J. C. Johnston, N. Kastelowitz, and V. Molinero, J. Chem. Phys. 133, 154516 (2010). JCPSA6 0021-9606 10.1063/1.3499323
- (2010) J. Chem. Phys. , vol.133 , pp. 154516
- Johnston, J.C.¹ Kastelowitz, N.² Molinero, V.³

18
- 77950443716
- N. Kastelowitz, J. C. Johnston, and V. Molinero, J. Chem. Phys. 132, 124511 (2010). JCPSA6 0021-9606 10.1063/1.3368793
- (2010) J. Chem. Phys. , vol.132 , pp. 124511
- Kastelowitz, N.¹ Johnston, J.C.² Molinero, V.³

19
- 77950532163
- J. Bai, C. A. Angell, and X. C. Zeng, Proc. Natl. Acad. Sci. U.S.A. 107, 5718 (2010). PNASA6 0027-8424 10.1073/pnas.0906437107
- (2010) Proc. Natl. Acad. Sci. U.S.A. , vol.107 , pp. 5718
- Bai, J.¹ Angell, C.A.² Zeng, X.C.³

20
- 84871835146
- J. Bai and X. C. Zeng, Proc. Natl. Acad. Sci. U.S.A. 109, 21240 (2012). PNASA6 0027-8424 10.1073/pnas.1213342110
- (2012) Proc. Natl. Acad. Sci. U.S.A. , vol.109 , pp. 21240
- Bai, J.¹ Zeng, X.C.²

21
- 84867547844
- A. L. Ferguson, N. Giovambattista, P. J. Rossky, A. Z. Panagiotopoulos, and P. G. Debenedetti, J. Chem. Phys. 137, 144501 (2012). JCPSA6 0021-9606 10.1063/1.4755750
- (2012) J. Chem. Phys. , vol.137 , pp. 144501
- Ferguson, A.L.¹ Giovambattista, N.² Rossky, P.J.³ Panagiotopoulos, A.Z.⁴ Debenedetti, P.G.⁵

22
- 84859885229
- N. Giovambattista, P. Rossky, and P. Debenedetti, Annu. Rev. Phys. Chem. 63, 179 (2012). ARPLAP 0066-426X 10.1146/annurev-physchem-032811-112007
- (2012) Annu. Rev. Phys. Chem. , vol.63 , pp. 179
- Giovambattista, N.¹ Rossky, P.² Debenedetti, P.³

23
- 84898065198
- W.-H. Zhao, J. Bai, L.-F. Yuan, J. Yang, and X. C. Zeng, Chem. Sci. 5, 1757 (2014). 2041-6520 10.1039/c3sc53368a
- (2014) Chem. Sci. , vol.5 , pp. 1757
- Zhao, W.-H.¹ Bai, J.² Yuan, L.-F.³ Yang, J.⁴ Zeng, X.C.⁵

24
- 84906238668
- W.-H. Zhao, L. Wang, J. Bai, L.-F. Yuan, J. Yang, and X. C. Zeng, Acc. Chem. Res. 47, 2505 (2014). ACHRE4 0001-4842 10.1021/ar5001549
- (2014) Acc. Chem. Res. , vol.47 , pp. 2505
- Zhao, W.-H.¹ Wang, L.² Bai, J.³ Yuan, L.-F.⁴ Yang, J.⁵ Zeng, X.C.⁶

25
- 84907979945
- Q. Lu, J. Kim, J. D. Farrell, D. J. Wales, and J. E. Straub, J. Chem. Phys. 141, 18C525 (2014). JCPSA6 0021-9606 10.1063/1.4896513
- (2014) J. Chem. Phys. , vol.141 , pp. 18C525
- Lu, Q.¹ Kim, J.² Farrell, J.D.³ Wales, D.J.⁴ Straub, J.E.⁵

26
- 84954459240
- arXiv:1502.03750
- F. Corsetti, P. Matthews, and E. Artacho, arXiv:1502.03750.
- Corsetti, F.¹ Matthews, P.² Artacho, E.³

27
- 84954460517
- arXiv:1506.04668
- F. Corsetti, J. Zubeltzu, and E. Artacho, arXiv:1506.04668.
- Corsetti, F.¹ Zubeltzu, J.² Artacho, E.³

28
- 33749523579
- G. A. Tribello, B. Slater, and C. G. Salzmann, J. Am. Chem. Soc. 128, 12594 (2006). JACSAT 0002-7863 10.1021/ja0630902
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 12594
- Tribello, G.A.¹ Slater, B.² Salzmann, C.G.³

29
- 33746597118
- C. J. Pickard and R. J. Needs, Phys. Rev. Lett. 97, 045504 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.045504
- (2006) Phys. Rev. Lett. , vol.97 , pp. 045504
- Pickard, C.J.¹ Needs, R.J.²

30
- 79551662789
- C. J. Pickard and R. J. Needs, J. Phys. Condens. Matter 23, 053201 (2011). JCOMEL 0953-8984 10.1088/0953-8984/23/5/053201
- (2011) J. Phys. Condens. Matter , vol.23 , pp. 053201
- Pickard, C.J.¹ Needs, R.J.²

31
- 84879082096
- C. J. Pickard, M. Martinez-Canales, and R. J. Needs, Phys. Rev. Lett. 110, 245701 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.245701
- (2013) Phys. Rev. Lett. , vol.110 , pp. 245701
- Pickard, C.J.¹ Martinez-Canales, M.² Needs, R.J.³

32
- 84904614800
- G. Schusteritsch and C. J. Pickard, Phys. Rev. B 90, 035424 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.90.035424
- (2014) Phys. Rev. B , vol.90 , pp. 035424
- Schusteritsch, G.¹ Pickard, C.J.²

33
- 79961241143
- J. Ma, A. Michaelides, D. Alfè, L. Schimka, G. Kresse, and E. Wang, Phys. Rev. B 84, 033402 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.033402
- (2011) Phys. Rev. B , vol.84 , pp. 033402
- Ma, J.¹ Michaelides, A.² Alfè, D.³ Schimka, L.⁴ Kresse, G.⁵ Wang, E.⁶

34
- 2442537377
- G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

35
- 61349180195
- A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. 102, 073005 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
- (2009) Phys. Rev. Lett. , vol.102 , pp. 073005
- Tkatchenko, A.¹ Scheffler, M.²

36
- 4243943295
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

37
- 85036475483
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevLett.116.025501, which includes Refs. [39-48], for more details on our calculations, additional information on the ice phases, and various tests.

38
- 0011236321
- G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

39
- 0037799714
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). JCPSA6 0021-9606 10.1063/1.1564060
- (2003) J. Chem. Phys. , vol.118 , pp. 8207
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

40
- 3242718844
- M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
- (2004) Phys. Rev. Lett. , vol.92 , pp. 246401
- Dion, M.¹ Rydberg, H.² Schröder, E.³ Langreth, D.C.⁴ Lundqvist, B.I.⁵

41
- 34547139312
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906 (2006). JCPSA6 0021-9606 10.1063/1.2204597
- (2006) J. Chem. Phys. , vol.124 , pp. 219906
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

42
- 72249104051
- J. Klimeš, D. R. Bowler, and A. Michaelides, J. Phys. Condens. Matter 22, 022201 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
- (2010) J. Phys. Condens. Matter , vol.22 , pp. 022201
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

43
- 79960645403
- J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
- (2011) Phys. Rev. B , vol.83 , pp. 195131
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

44
- 80054950214
- B. Santra, J. Klimeš, D. Alfè, A. Tkatchenko, B. Slater, A. Michaelides, R. Car, and M. Scheffler, Phys. Rev. Lett. 107, 185701 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.185701
- (2011) Phys. Rev. Lett. , vol.107 , pp. 185701
- Santra, B.¹ Klimeš, J.² Alfè, D.³ Tkatchenko, A.⁴ Slater, B.⁵ Michaelides, A.⁶ Car, R.⁷ Scheffler, M.⁸

45
- 84857852424
- E. D. Murray and G. Galli, Phys. Rev. Lett. 108, 105502 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.105502
- (2012) Phys. Rev. Lett. , vol.108 , pp. 105502
- Murray, E.D.¹ Galli, G.²

46
- 84886927910
- F. Corsetti, M.-V. Fernández-Serra, J. M. Soler, and E. Artacho, J. Phys. Condens. Matter 25, 435504 (2013). JCOMEL 0953-8984 10.1088/0953-8984/25/43/435504
- (2013) J. Phys. Condens. Matter , vol.25 , pp. 435504
- Corsetti, F.¹ Fernández-Serra, M.-V.² Soler, J.M.³ Artacho, E.⁴

47
- 78751546212
- J. Wang, G. Román-Pérez, J. M. Soler, E. Artacho, and M.-V. Fernández-Serra, J. Chem. Phys. 134, 024516 (2011). JCPSA6 0021-9606 10.1063/1.3521268
- (2011) J. Chem. Phys. , vol.134 , pp. 024516
- Wang, J.¹ Román-Pérez, G.² Soler, J.M.³ Artacho, E.⁴ Fernández-Serra, M.-V.⁵

48
- 84937677942
- E. A. Engel, B. Monserrat, and R. J. Needs, Phys. Rev. X 5, 021033 (2015). PRXHAE 2160-3308 10.1103/PhysRevX.5.021033
- (2015) Phys. Rev. X , vol.5 , pp. 021033
- Engel, E.A.¹ Monserrat, B.² Needs, R.J.³

49
- 84869574487
- K. Röttger, A. Endriss, J. Ihringer, S. Doyle, and W. F. Kuhs, Acta Crystallogr. Sect. B 50, 644 (1994). ASBSDK 0108-7681 10.1107/S0108768194004933
- (1994) Acta Crystallogr. Sect. B , vol.50 , pp. 644
- Röttger, K.¹ Endriss, A.² Ihringer, J.³ Doyle, S.⁴ Kuhs, W.F.⁵

50
- 0003524428
- (Oxford University Press, New York)
- V. F. Petrenko and R. W. Whitworth, Physics of Ice (Oxford University Press, New York, 2002).
- (2002) Physics of Ice
- Petrenko, V.F.¹ Whitworth, R.W.²

51
- 80054018256
- C. G. Salzmann, P. G. Radaelli, B. Slater, and J. L. Finney, Phys. Chem. Chem. Phys. 13, 18468 (2011). PPCPFQ 1463-9076 10.1039/c1cp21712g
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 18468
- Salzmann, C.G.¹ Radaelli, P.G.² Slater, B.³ Finney, J.L.⁴

52
- 84923673733
- S. Zhang, J. Zhou, Q. Wang, X. Chen, Y. Kawazoe, and P. Jena, Proc. Natl. Acad. Sci. U.S.A. 112, 2372 (2015). PNASA6 0027-8424 10.1073/pnas.1416591112
- (2015) Proc. Natl. Acad. Sci. U.S.A. , vol.112 , pp. 2372
- Zhang, S.¹ Zhou, J.² Wang, Q.³ Chen, X.⁴ Kawazoe, Y.⁵ Jena, P.⁶

53
- 57449109985
- C. Vega, J. L. F. Abascal, M. M. Conde, and J. L. Aragones, Faraday Discuss. 141, 251 (2009). FDISE6 1359-6640 10.1039/B805531A
- (2009) Faraday Discuss. , vol.141 , pp. 251
- Vega, C.¹ Abascal, J.L.F.² Conde, M.M.³ Aragones, J.L.⁴

54
- 1242346370
- H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987). JPCHAX 0022-3654 10.1021/j100308a038
- (1987) J. Phys. Chem. , vol.91 , pp. 6269
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

55
- 84887319040
- J. Zhang, P. Chen, B. Yuan, W. Ji, Z. Cheng, and X. Qiu, Science 342, 611 (2013). SCIEAS 0036-8075 10.1126/science.1242603
- (2013) Science , vol.342 , pp. 611
- Zhang, J.¹ Chen, P.² Yuan, B.³ Ji, W.⁴ Cheng, Z.⁵ Qiu, X.⁶

56
- 84892969147
- J. Guo, X. Meng, J. Chen, J. Peng, J. Sheng, X.-Z. Li, L. Xu, J.-R. Shi, E. Wang, and Y. Jiang, Nat. Mater. 13, 184 (2014). NMAACR 1476-1122 10.1038/nmat3848
- (2014) Nat. Mater. , vol.13 , pp. 184
- Guo, J.¹ Meng, X.² Chen, J.³ Peng, J.⁴ Sheng, J.⁵ Li, X.-Z.⁶ Xu, L.⁷ Shi, J.-R.⁸ Wang, E.⁹ Jiang, Y.¹⁰

57
- 76649093610
- X.-Z. Li, M. I. J. Probert, A. Alavi, and A. Michaelides, Phys. Rev. Lett. 104, 066102 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.066102
- (2010) Phys. Rev. Lett. , vol.104 , pp. 066102
- Li, X.-Z.¹ Probert, M.I.J.² Alavi, A.³ Michaelides, A.⁴

58
- 84898481641
- C. Drechsel-Grau and D. Marx, Phys. Rev. Lett. 112, 148302 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.112.148302
- (2014) Phys. Rev. Lett. , vol.112 , pp. 148302
- Drechsel-Grau, C.¹ Marx, D.²

59
- 84924154869
- X. Meng, J. Guo, J. Peng, J. Chen, Z. Wang, J.-R. Shi, X.-Z. Li, E.-G. Wang, and Y. Jiang, Nat. Phys. 11, 235 (2015). NPAHAX 1745-2473 10.1038/nphys3225
- (2015) Nat. Phys. , vol.11 , pp. 235
- Meng, X.¹ Guo, J.² Peng, J.³ Chen, J.⁴ Wang, Z.⁵ Shi, J.-R.⁶ Li, X.-Z.⁷ Wang, E.-G.⁸ Jiang, Y.⁹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.