Extracting convergent surface energies from slab calculations

Journal of Physics Condensed Matter

Volumn 8, Issue 36, 1996, Pages 6525-6529

  Fiorentini, Vincenzo ^a   Methfessel, M ^b  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b IHP   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000478181     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/8/36/005     Document Type: Article

References (12)

1. Methfessel M, Hennig D and Scheffler M 1992 Phys. Rev. B 46 4816 Fiorentini V, Methfessel M and Scheffler M 1993 Phys. Rev. Lett. 71 1050
2. Methfessel M, Hennig D and Scheffler M 1992 Phys. Rev. B 46 4816 Fiorentini V, Methfessel M and Scheffler M 1993 Phys. Rev. Lett. 71 1050
3. Boettger J C 1994 Phys. Rev. B 49 16 798
4. See, e.g., Needs R J 1987 Phys. Rev. Lett. 58 53
5. Robertson I J, Heine V and Payne M C 1993 Phys. Lett. 70 1944
6. Dreizler R and Gross E K U 1990 Density Functional Theory (Berlin: Springer) We use the exchange-correlation energy given by Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 parametrized by Vosko S, Wilk L and Nusair M 1980 Can. J. Phys. 58 1200
7. Dreizler R and Gross E K U 1990 Density Functional Theory (Berlin: Springer) We use the exchange-correlation energy given by Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 parametrized by Vosko S, Wilk L and Nusair M 1980 Can. J. Phys. 58 1200
8. Dreizler R and Gross E K U 1990 Density Functional Theory (Berlin: Springer) We use the exchange-correlation energy given by Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 parametrized by Vosko S, Wilk L and Nusair M 1980 Can. J. Phys. 58 1200
9. Methfessel M 1988 Phys. Rev. B 38 1537 Methfessel M, Rodriguez C O and Andersen O K 1989 Phys. Rev. B 40 2009
10. Methfessel M 1988 Phys. Rev. B 38 1537 Methfessel M, Rodriguez C O and Andersen O K 1989 Phys. Rev. B 40 2009
11. Fiorentini V, Fois D and Oppo S 1996 Phys. Rev. Lett. at press
12. Filippetti A, Fiorentini V, Stokbro K, Valente R and Baroni S 1996 Materials Theory, Simulations and Parallel Algorithms (MRS Proc. 408) ed E Kaxiras and J D Johannopoulos (Pittsburg, PA: Materials Research Society) at press