Lattice match in density functional calculations: Ice Ih vs. β-AgI

Physical Chemistry Chemical Physics

Volumn 10, Issue 32, 2008, Pages 4688-4691

  Feibelman, Peter J ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 49349110696     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b808482n     Document Type: Article

References (46)

1. A. D. Becke Phys. Rev. A 1988 38 3098
2. C. Lee W. Yang R. G. Parr Phys. Rev. B 1988 37 785
3. "PW91"- J. P. Perdew, in Electronic Structure of Solids '91, eds., P. Ziesche, and, H. Eschrig,, Akademie Verlag, Berlin, 1991
4. J. P. Perdew J. A. Chevary S. H. Vosko K. A. Jackson M. R. Pederson D. J. Singh C. Fiolhais Phys. Rev. B 1992 46 6671
5. J. P. Perdew J. A. Chevary S. H. Vosko K. A. Jackson M. R. Pederson D. J. Singh C. Fiolhais Phys. Rev. B 1993 48 4978
6. J. P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 1996 78 3865
7. Y. Zhang W. Yang Phys. Rev. Lett. 1998 80 890
8. B. Hammer L. B. Hansen J. K. Nørskov Phys. Rev. B 1999 59 7413
9. R. Armiento A. E. Mattsson Phys. Rev. B 2005 72 085108
10. J. P. Perdew A. Ruzsinszky G. I. Csonka O. Vydrov G. E. Scuseria L. A. Constantin X. Zhou K. Burke Phys. Rev. Lett. 2008 100 136406
11. D. M. Ceperley B. J. Alder Phys. Rev. Lett. 1980 45 566
12. J. P. Perdew A. Zunger Phys. Rev. B 1981 23 5048
13. J. C. Grossman L. Mitas Phys. Rev. Lett. 2005 94 056403
14. B. W. Dodson Phys. Rev. Lett. 1988 60 2288
15. B. Vonnegut J. Appl. Phys. 1947 18 593
16. J. Neyman Proc. Natl. Acad. Sci. U. S. A. 1977 74 4714
17. B. C. Farhar Bull. Am. Meteorol. Soc. 1974 55 759
18. For a compilation of court cases on the subject, see R. B. Standler, Weather Modification law in the USA, http://www.rbs2.com/weather.pdf, 2006
19. H. R. Pruppacher and J. D. Klett, Microphysics of Clouds and Precipitation, Kluwer Academic Publishers, Norwell, MA, 2nd Enlarged and Revised Edition, 1997, Table 9.7, p. 332
20. V. Sadtchenko Z. Zhang G. E. Ewing Langmuir 2002 18 4632
21. X. L. Hu A. Michaelides Surf. Sci. 2008 601 5378
22. B. C. Christner C. E. Morris C. M. Cai D. C. Sands Science 2008 319 1214
23. K. Thürmer N. C. Bartelt Phys. Rev. B 2008 77 195425
24. K. Röttger A. Endriss J. Ihringer S. Doyle W. F. Kuhs Acta Crystallogr., Sect. B 1994 50 644
25. B. R. Lawn Acta Crystallogr. 1964 17 1341
26. G. Harvey N. H. Fletcher J. Phys. C 1980 13 2969
27. The bulk modulus of polycrystalline ice is 0.89 GPa, at 257°K, according to V. Petrenko and R. W. Whitworth, Physics of Ice, Oxford University Press, Oxford, 1999, p. 39
28. A. Glebov A. P. Graham A. Menzel J. P. Toennies J. Chem. Phys. 1997 106 9382
29. G. Zimbita S. Haq A. Hodgson J. Chem. Phys. 2005 123 174701
30. S. Haq J. Harnett A. Hodgson Surf. Sci. 2002 505 171
31. P. J. Feibelman Chem. Phys. Lett. 2005 410 120
32. B. Santra A. Michaelides M. Scheffler J. Chem. Phys. 2007 127 184104
33. D. R. Hamann Phys. Rev. B 1997 55 R10157
34. G. Kresse J. Hafner Phys. Rev. B 1993 47 558
35. G. Kresse J. Hafner Phys. Rev. B 1994 49 14251
36. G. Kresse J. Furthmüller Comput. Mater. Sci. 1996 6 15
37. G. Kresse J. Furthmüller Phys. Rev. B 1996 54 11169
38. P. E. Blöchl Phys. Rev. B 1994 50 17953
39. G. Kresse D. Joubert Phys. Rev. B 1999 59 1758
40. G. Kresse, private communication, 2008
41. H. J. Monkhorst J. D. Pack Phys. Rev. B 1976 13 5188
42. X. Wu M. C. Vargas S. Nayak V. Lotrich G. Scoles J. Chem. Phys. 2001 115 8748
43. J. L. F. Da Silva C. Stampfl M. Scheffler Phys. Rev. Lett. 2003 90 06614
44. P. J. Feibelman Phys. Rev. B 2005 72 113405
45. D. R. Hamann Phys. Rev. B 2001 63 075107
46. D. R. Hamann, private communication, 2008