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Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 19, 2003, Pages 1951231-1951237

First-principles calculation of the electronic, dielectric, and dynamical properties of CaF2

(2) Verstraete, Matthieu a Gonze, Xavier a

a UNIVERSITÉ CATHOLIQUE DE LOUVAIN (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM FLUORIDE;

ARTICLE; ATOM; CALCULATION; CRYSTAL; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; ELECTRIC POTENTIAL; ELECTRONICS; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; OPTICS; PHONON; STANDARD; ULTRAVIOLET RADIATION; VIBRATION;

EID: 85038986810 PISSN: 01631829 EISSN: None Source Type: Journal
DOI: 10.1103/PhysRevB.68.195123 Document Type: Article

Times cited : (64)

References (46)

1
- 0035894439
- J.H. Burnett, Z.H. Levine, and E.L. Shirley, Phys. Rev. B 64, 241102 (2001).
- (2001) Phys. Rev. B , vol.64 , pp. 241102
- Burnett, J.H.¹ Levine, Z.H.² Shirley, E.L.³

2
- 0000103770
- D.M. Boye, R.M. Macfarlane, Y. Sun, and R.S. Meltzer, Phys. Rev. B 54, 6263 (1996).
- (1996) Phys. Rev. B , vol.54 , pp. 6263
- Boye, D.M.¹ Macfarlane, R.M.² Sun, Y.³ Meltzer, R.S.⁴

3
- 0014745446
- M.M. Elcombe and A.W. Pryor, J. Phys. C 3, 492 (1970).
- (1970) J. Phys. C , vol.3 , pp. 492
- Elcombe, M.M.¹ Pryor, A.W.²

4
- 0344612136
- A.K. McCurdy, Phys. Rev. B 26, 6971 (1982).
- (1982) Phys. Rev. B , vol.26 , pp. 6971
- McCurdy, A.K.¹

5
- 25444514890
- A. Feldman and R.M. Waxler, Phys. Rev. Lett. 45, 126 (1980).
- (1980) Phys. Rev. Lett. , vol.45 , pp. 126
- Feldman, A.¹ Waxler, R.M.²

6
- 0009276812
- J.P. Albert, C. Jouanin, and C. Gout, Phys. Rev. B 16, 4619 (1977).
- (1977) Phys. Rev. B , vol.16 , pp. 4619
- Albert, J.P.¹ Jouanin, C.² Gout, C.³

7
- 0000787654
- R.A. Heaton and C.C. Lin, Phys. Rev. B 22, 3629 (1980).
- (1980) Phys. Rev. B , vol.22 , pp. 3629
- Heaton, R.A.¹ Lin, C.C.²

8
- 0000656146
- L.X. Benedict and E.L. Shirley, Phys. Rev. B 59, 5441 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 5441
- Benedict, L.X.¹ Shirley, E.L.²

9
- 0034188455
- N.H. de Leeuw, J.A. Purton, S.C. Parker, G.W. Watson, and G. Kresse, Surf. Sci. 452, 9 (2000).
- (2000) Surf. Sci. , vol.452 , pp. 9
- De Leeuw, N.H.¹ Purton, J.A.² Parker, S.C.³ Watson, G.W.⁴ Kresse, G.⁵

10
- 0037435483
- M. Mérawa, M. Llunell, R. Orlando, M. Gelize-Duvignau, and R. Dovesi, Chem. Phys. Lett. 368, 7 (2003).
- (2003) Chem. Phys. Lett. , vol.368 , pp. 7
- Mérawa, M.¹ Llunell, M.² Orlando, R.³ Gelize-Duvignau, M.⁴ Dovesi, R.⁵

11
- 33646639817
- unpublished
- K. Schmalzl (unpublished).
- Schmalzl, K.¹

12
- 10644250257
- P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964).
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

13
- 0042113153
- W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
- (1965) Phys. Rev. , vol.140
- Kohn, W.¹ Sham, L.J.²

14
- 0036827661
- X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, and D.C. Allan, Comput. Mater. Sci. 25, 478 (2002). Note: ABINIT is a common project of the Université Catholique de Louvain, Coming Incorporated, and other contributors (http://www.pcpm.ucl.ac.be/ABINIT).
- (2002) Comput. Mater. Sci. , vol.25 , pp. 478
- Gonze, X.¹ Beuken, J.-M.² Caracas, R.³ Detraux, F.⁴ Fuchs, M.⁵ Rignanese, G.-M.⁶ Sindic, L.⁷ Verstraete, M.⁸ Zerah, G.⁹ Jollet, F.¹⁰ Torrent, M.¹¹ Roy, A.¹² Mikami, M.¹³ Ghosez, Ph.¹⁴ Raty, J.-Y.¹⁵ Allan, D.C.¹⁶

15
- 11944256577
- M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, and J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, J.D.⁵

16
- 0004033098
- Interscience/John Wiley, New York
- R. W. G. Wyckoff, Crystal Structures, 9th ed. (Interscience/John Wiley, New York, 1963), vol. 1.
- (1963) Crystal Structures, 9th Ed. , vol.1
- Wyckoff, R.W.G.¹

17
- 84968510937
- C.G. Broyden, Math. Comput. 19, 577 (1965).
- (1965) Math. Comput. , vol.19 , pp. 577
- Broyden, C.G.¹

18
- 33645898818
- J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

19
- 33744691386
- D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

20
- 4243943295
- J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

21
- 33645426115
- N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991).
- (1991) Phys. Rev. B , vol.43 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

22
- 0000549623
- S.G. Louie, S. Froyen, and M.L. Cohen, Phys. Rev. B 26, 1738 (1982).
- (1982) Phys. Rev. B , vol.26 , pp. 1738
- Louie, S.G.¹ Froyen, S.² Cohen, M.L.³

23
- 0000083717
- C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B 58, 3641 (1998).
- (1998) Phys. Rev. B , vol.58 , pp. 3641
- Hartwigsen, C.¹ Goedecker, S.² Hutter, J.³

24
- 0001161603
- L. Kleinman and D.M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1425
- Kleinman, L.¹ Bylander, D.M.²

25
- 0000815655
- X. Gonze, P. Käckell, and M. Scheffler, Phys. Rev. B 41, 12 264 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 12264
- Gonze, X.¹ Käckell, P.² Scheffler, M.³

26
- 1842816907
- H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

27
- 0035535380
- S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001).
- (2001) Rev. Mod. Phys. , vol.73 , pp. 515
- Baroni, S.¹ De Gironcoli, S.² Dal Corso, A.³ Giannozzi, P.⁴

28
- 33744678467
- P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B 43, 7231 (1991).
- (1991) Phys. Rev. B , vol.43 , pp. 7231
- Giannozzi, P.¹ De Gironcoli, S.² Pavone, P.³ Baroni, S.⁴

29
- 0001084315
- X. Gonze, Phys. Rev. B 55, 10337 (1997).
- (1997) Phys. Rev. B , vol.55 , pp. 10337
- Gonze, X.¹

30
- 0001096933
- X. Gonze and C. Lee, Phys. Rev. B 55, 10355 (1997).
- (1997) Phys. Rev. B , vol.55 , pp. 10355
- Gonze, X.¹ Lee, C.²

31
- 33646663777
- unpublished
- J. P Perdew and Y. Wang (unpublished).
- Perdew, J.P.¹ Wang, Y.²

32
- 0015481414
- G. Lehmann and M. Taut, Phys. Status Solidi B 54, 469 (1972).
- (1972) Phys. Status Solidi B , vol.54 , pp. 469
- Lehmann, G.¹ Taut, M.²

33
- 25044437775
- P. E. Blöchl, O. Jepsen, and O.K. Andersen, Phys. Rev. B 49, 16223 (1994).
- (1994) Phys. Rev. B , vol.49 , pp. 16223
- Blöchl, P.E.¹ Jepsen, O.² Andersen, O.K.³

34
- 0001559783
- G.W. Rubloff, Phys. Rev. B 5, 662 (1972).
- (1972) Phys. Rev. B , vol.5 , pp. 662
- Rubloff, G.W.¹

35
- 33646650708
- R.F.W. Bader, MTP Int. Rev. Sci.: Phys. Chem. Ser. Two 1, 43 (1975).
- (1975) MTP Int. Rev. Sci. Phys. Chem. Ser. Two , vol.1 , pp. 43
- Bader, R.F.W.¹

36
- 0005355447
- R.F.W. Bader, J. Phys. Chem. 102, 7314 (1998).
- (1998) J. Phys. Chem. , vol.102 , pp. 7314
- Bader, R.F.W.¹

37
- 0001553329
- F.L. Hirshfeld, Theor. Chim. Acta 44, 129 (1977).
- (1977) Theor. Chim. Acta , vol.44 , pp. 129
- Hirshfeld, F.L.¹

38
- 0035833816
- R.F. Nalewajski and R.G. Parr, J. Phys. Chem. A 105, 7391 (2001).
- (2001) J. Phys. Chem. A , vol.105 , pp. 7391
- Nalewajski, R.F.¹ Parr, R.G.²

39
- 0000414882
- J. Meister and W.H.E. Schwarz, J. Phys. Chem. 98, 8245 (1994).
- (1994) J. Phys. Chem. , vol.98 , pp. 8245
- Meister, J.¹ Schwarz, W.H.E.²

40
- 34250727254
- K.B. Wiberg and P.R. Rablen, J. Comput. Chem. 14, 1504 (12) (1993).
- (1993) J. Comput. Chem. , vol.14 , Issue.12 , pp. 1504
- Wiberg, K.B.¹ Rablen, P.R.²

41
- 0001135836
- P. Ghosez, J.-P. Michenaud, and X. Gonze, Phys. Rev. B 58, 6224 (1998).
- (1998) Phys. Rev. B , vol.58 , pp. 6224
- Ghosez, P.¹ Michenaud, J.-P.² Gonze, X.³

42
- 0000831171
- W. Kaiser, W.G. Spitzer, R.H. Kaiser, and L.E. Howarth, Phys. Rev. 127, 1950 (1962).
- (1962) Phys. Rev. , vol.127 , pp. 1950
- Kaiser, W.¹ Spitzer, W.G.² Kaiser, R.H.³ Howarth, L.E.⁴

43
- 36149067371
- R.P. Lowndes, J. Phys. C 3, 3083 (1971).
- (1971) J. Phys. C , vol.3 , pp. 3083
- Lowndes, R.P.¹

44
- 33646645717
- J.P. Russel, Proc. Phys. Soc. London 85, 194 (1965).
- (1965) Proc. Phys. Soc. London , vol.85 , pp. 194
- Russel, J.P.¹

45
- 0002202090
- P. Denham, G.R. Field, P.L.R. Morse, and G.R. Wilkinson, Proc. R. Soc. London, Ser. A 317, 55 (1970).
- (1970) Proc. R. Soc. London, Ser. A , vol.317 , pp. 55
- Denham, P.¹ Field, G.R.² Morse, P.L.R.³ Wilkinson, G.R.⁴

46
- 33646645160
- H.B. Strock and B.W. Batterman, Phys. Rev. B 5, 2337 (1972).
- (1972) Phys. Rev. B , vol.5 , pp. 2337
- Strock, H.B.¹ Batterman, B.W.²

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