SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 21, 2013, Pages

Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results

(5) Schimka, Laurids a Gaudoin, René a Klimeš, Jiří a Marsman, Martijn a Kresse, Georg a

a UNIVERSITY OF VIENNA (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84879938479 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.87.214102 Document Type: Article

Times cited : (125)

References (39)

1
- 10644250257
- PHRVAO 0031-899X 10.1103/PhysRev.136.B864
- P. Hohenberg and W. Kohn, Phys. Rev. B PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, 864 (1964).
- (1964) Phys. Rev. B , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

2
- 0042113153
- PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

3
- 61549134825
- PRBMDO 1098-0121 10.1103/PhysRevB.79.085104
- P. Haas, F. Tran, and P. Blaha, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.085104 79, 085104 (2009).
- (2009) Phys. Rev. B , vol.79 , pp. 085104
- Haas, P.¹ Tran, F.² Blaha, P.³

4
- 65649139613
- PRBMDO 1098-0121 10.1103/PhysRevB.79.155107
- G. I. Csonka, J. P. Perdew, A. Ruzsinszky, P. H. T. Philipsen, S. Lebègue, J. Paier, O. A. Vydrov, and J. G. Ángyán, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.155107 79, 155107 (2009).
- (2009) Phys. Rev. B , vol.79 , pp. 155107
- Csonka, G.I.¹ Perdew, J.P.² Ruzsinszky, A.³ Philipsen, P.H.T.⁴ Lebègue, S.⁵ Paier, J.⁶ Vydrov, O.A.⁷ Ángyán, J.G.⁸

5
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

6
- 41849095114
- Restoring the density-gradient expansion for exchange in solids and surfaces
- DOI 10.1103/PhysRevLett.100.136406
- J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 100, 136406 (2008). (Pubitemid 351503187)
- (2008) Physical Review Letters , vol.100 , Issue.13 , pp. 136406
- Perdew, J.P.¹ Ruzsinszky, A.² Csonka, G.I.³ Vydrov, O.A.⁴ Scuseria, G.E.⁵ Constantin, L.A.⁶ Zhou, X.⁷ Burke, K.⁸

7
- 68749089937
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.026403
- J. P. Perdew, A. Ruzsinszky, G. I. Csonka, L. A. Constantin, and J. Sun, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.026403 103, 026403 (2009).
- (2009) Phys. Rev. Lett. , vol.103 , pp. 026403
- Perdew, J.P.¹ Ruzsinszky, A.² Csonka, G.I.³ Constantin, L.A.⁴ Sun, J.⁵

8
- 79961215837
- PRBMDO 1098-0121 10.1103/PhysRevB.84.035117
- J. Sun, M. Marsman, G. I. Csonka, A. Ruzsinszky, P. Hao, Y.-S. Kim, G. Kresse, and J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84. 035117 84, 035117 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 035117
- Sun, J.¹ Marsman, M.² Csonka, G.I.³ Ruzsinszky, A.⁴ Hao, P.⁵ Kim, Y.-S.⁶ Kresse, G.⁷ Perdew, J.P.⁸

9
- 72249104051
- JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
- J. Klimeš, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201 22, 022201 (2010).
- (2010) J. Phys.: Condens. Matter , vol.22 , pp. 022201
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

10
- 3242718844
- PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
- M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401 92, 246401 (2004).
- (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

11
- 0016650111
- SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3
- D. C. Langreth and J. P. Perdew, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3 17, 1425 (1975).
- (1975) Solid State Commun. , vol.17 , pp. 1425
- Langreth, D.C.¹ Perdew, J.P.²

12
- 25544474582
- PRBMDO 1098-0121 10.1103/PhysRevB.13.4274
- O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.4274 13, 4274 (1976).
- (1976) Phys. Rev. B , vol.13 , pp. 4274
- Gunnarsson, O.¹ Lundqvist, B.I.²

13
- 14344278811
- PRBMDO 1098-0121 10.1103/PhysRevB.15.2884
- D. C. Langreth and J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.15.2884 15, 2884 (1977).
- (1977) Phys. Rev. B , vol.15 , pp. 2884
- Langreth, D.C.¹ Perdew, J.P.²

14
- 84855360660
- EULEEJ 0295-5075 10.1209/0295-5075/32/9/005
- G. Kresse, J. Furthmüller, and J. Hafner, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/32/9/005 32, 729 (1995).
- (1995) Europhys. Lett. , vol.32 , pp. 729
- Kresse, G.¹ Furthmüller, J.² Hafner, J.³

15
- 0003517428
- Springer, Berlin
- J. Hafner, From Hamiltonians to Phase Diagrams (Springer, Berlin, 1987), p. 34.
- (1987) From Hamiltonians to Phase Diagrams , pp. 34
- Hafner, J.¹

16
- 77956319528
- PRBMDO 1098-0121 10.1103/PhysRevB.81.233102
- J. Tao, J. P. Perdew, and A. Ruzsinszky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.233102 81, 233102 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 233102
- Tao, J.¹ Perdew, J.P.² Ruzsinszky, A.³

17
- 58149475529
- PRBMDO 1098-0121 10.1103/PhysRevB.78.214108
- T. Qin, R. Drautz, and D. G. Pettifor, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.214108 78, 214108 (2008).
- (2008) Phys. Rev. B , vol.78 , pp. 214108
- Qin, T.¹ Drautz, R.² Pettifor, D.G.³

18
- 72849117009
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.267203
- J. Sánchez-Barriga, J. Fink, V. Boni, I. Di Marco, J. Braun, J. Minár, A. Varykhalov, O. Rader, V. Bellini, F. Manghi, H. Ebert, M. I. Katsnelson, A. I. Lichtenstein, O. Eriksson, W. Eberhardt, and H. A. Dürr, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.267203 103, 267203 (2009).
- (2009) Phys. Rev. Lett. , vol.103 , pp. 267203
- Sánchez-Barriga, J.¹ Fink, J.² Boni, V.³ Di Marco, I.⁴ Braun, J.⁵ Minár, J.⁶ Varykhalov, A.⁷ Rader, O.⁸ Bellini, V.⁹ Manghi, F.¹⁰ Ebert, H.¹¹ Katsnelson, M.I.¹² Lichtenstein, A.I.¹³ Eriksson, O.¹⁴ Eberhardt, W.¹⁵ Dürr, H.A.¹⁶

19
- 0042549565
- PRLTAO 0031-9007 10.1103/PhysRevLett.88.236402
- S. Monastra, F. Manghi, C. A. Rozzi, C. Arcangeli, E. Wetli, H.-J. Neff, T. Greber, and J. Osterwalder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.236402 88, 236402 (2002).
- (2002) Phys. Rev. Lett. , vol.88 , pp. 236402
- Monastra, S.¹ Manghi, F.² Rozzi, C.A.³ Arcangeli, C.⁴ Wetli, E.⁵ Neff, H.-J.⁶ Greber, T.⁷ Osterwalder, J.⁸

20
- 33845214918
- Spectral function of ferromagnetic 3d metals: A self-consistent LSDA+DMFT approach combined with the one-step model of photoemission
- DOI 10.1103/PhysRevLett.97.227601
- J. Braun, J. Minár, H. Ebert, M. I. Katsnelson, and A. I. Lichtenstein, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.227601 97, 227601 (2006). (Pubitemid 44853846)
- (2006) Physical Review Letters , vol.97 , Issue.22 , pp. 227601
- Braun, J.¹ Minar, J.² Ebert, H.³ Katsnelson, M.I.⁴ Lichtenstein, A.I.⁵

21
- 84892194120
- Springer, Berlin
- A. V. Narlikar, Frontiers in Magnetic Materials (Springer, Berlin, 2005), p. 117.
- (2005) Frontiers in Magnetic Materials , pp. 117
- Narlikar, A.V.¹

22
- 38849107422
- PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
- J. Harl and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77. 045136 77, 045136 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 045136
- Harl, J.¹ Kresse, G.²

23
- 68649092014
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.056401
- J. Harl and G. Kresse, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.056401 103, 056401 (2009).
- (2009) Phys. Rev. Lett. , vol.103 , pp. 056401
- Harl, J.¹ Kresse, G.²

24
- 77955010483
- PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
- J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115126 81, 115126 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 115126
- Harl, J.¹ Schimka, L.² Kresse, G.³

25
- 70449382771
- JCPSA6 0021-9606 10.1063/1.3250347
- A. Gruneis, M. Marsman, J. Harl, L. Schimka, and G. Kresse, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3250347 131, 154115 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 154115
- Gruneis, A.¹ Marsman, M.² Harl, J.³ Schimka, L.⁴ Kresse, G.⁵

26
- 35949007146
- PRBMDO 1098-0121 10.1103/PhysRevB.48.13115
- G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.13115 48, 13115 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 13115
- Kresse, G.¹ Hafner, J.²

27
- 0030190741
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
- DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
- G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
- (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
- Kresse, G.¹ Furthmuller, J.²

28
- 25744460922
- PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
- P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

29
- 0011236321
- PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

30
- 34547139150
- JCPSA6 0021-9606 10.1063/1.2187006
- J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Ángyán, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2187006 124, 154709 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 154709
- Paier, J.¹ Marsman, M.² Hummer, K.³ Kresse, G.⁴ Gerber, I.C.⁵ Ángyán, J.G.⁶

31
- 0028763270
- JCOMEL 0953-8984 10.1088/0953-8984/6/40/015
- G. Kresse and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
- (1994) J. Phys.: Condens. Matter , vol.6 , pp. 8245
- Kresse, G.¹ Hafner, J.²

32
- 78751484145
- JCPSA6 0021-9606 10.1063/1.3524336
- L. Schimka, J. Harl, and G. Kresse, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3524336 134, 024116 (2011).
- (2011) J. Chem. Phys. , vol.134 , pp. 024116
- Schimka, L.¹ Harl, J.² Kresse, G.³

33
- 0001191459
- PRBMDO 1098-0121 10.1103/PhysRevB.60.791
- G. Steinle-Neumann, L. Stixrude, and R. E. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.791 60, 791 (1999).
- (1999) Phys. Rev. B , vol.60 , pp. 791
- Steinle-Neumann, G.¹ Stixrude, L.² Cohen, R.E.³

34
- 3342939607
- Oldenbourg, München
- Ch. Kittel, Einführung in die Festkörperphysik (Oldenbourg, München, 1983), p. 92.
- (1983) Einführung in Die Festkörperphysik , pp. 92
- Kittel, Ch.¹

35
- 84907809732
- Vol. 24c (Springer, Berlin, Heidelberg
- Interaction of Charged Particles and Atoms with Surfaces, Landolt-Börnstein-Group III Condensed Matter, edited by G. Chiarotti, Vol. 24c (Springer, Berlin, Heidelberg, 1995).
- (1995) Interaction of Charged Particles and Atoms with Surfaces
- Chiarotti, G.¹

36
- 0141676791
- PRBMDO 1098-0121 10.1103/PhysRevB.68.014407
- D. Hobbs, J. Hafner, and D. Spišák, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.014407 68, 014407 (2003).
- (2003) Phys. Rev. B , vol.68 , pp. 014407
- Hobbs, D.¹ Hafner, J.² Spišák, D.³

37
- 4243553426
- PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
- A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

38
- 79960645403
- PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
- J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.195131 83, 195131 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 195131
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

39
- 0000216001
- CJPHAD 0008-4204 10.1139/p80-159
- S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. CJPHAD 0008-4204 10.1139/p80-159 58, 1200 (1980).
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.