Kohn-sham exchange potential for a metallic surface

Physical Review Letters

Volumn 97, Issue 2, 2006, Pages

  Horowitz, C M ^a   Proetto, C R ^a   Rigamonti, S ^a  

^a INSTITUTO BALSEIRO   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CORRELATION METHODS; INTERFACES (MATERIALS); NUMERICAL METHODS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE;

KOHN-SHAM EXCHANGE POTENTIALS; METAL-VACUUM INTERFACES; METALLIC SURFACES; SURFACE BARRIERS;

METALLIC COMPOUNDS;

EID: 33745817836     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.97.026802     Document Type: Article

References (17)

1. R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
2. N.D. Lang and W. Kohn, Phys. Rev. B PLRBAQ 0556-2805 1, 4555 (1970). 10.1103/PhysRevB.1.4555
3. J. Dobson, in Density Functional Theory, edited by, E.K.U. Gross, and, R.M. Dreizler, (Plenum, New York, 1995), p. 393;
4. M. Nekovee and J.M. Pitarke, Comput. Phys. Commun. CPHCBZ 0010-4655 137, 123 (2001). 10.1016/S0010-4655(01)00175-8
5. J.B. Krieger, Y. Li, and G.J. Iafrate, Phys. Rev. A 45, 101 (1992). Denoted as KLI in the text. PLRAAN 1050-2947 10.1103/PhysRevA.45.101
6. S. Rigamonti, C.R. Proetto, and F.A. Reboredo, Europhys. Lett. 70, 116 (2005). EULEEJ 0295-5075 10.1209/epl/i2004-10462-4
7. F.A. Reboredo and C.R. Proetto, Phys. Rev. B PRBMDO 0163-1829 67, 115325 (2003). 10.1103/PhysRevB.67.115325
8. T. Kriebich, Adv. Quantum Chem. 33, 31 (1999). AQCHA9 0065-3276
9. F. Della Sala and A. Görling, Phys. Rev. Lett. 89, 033003 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.033003
10. S. Kümmel and J.P. Perdew, Phys. Rev. Lett. 90, 043004 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.90.043004
11. E. Krotscheck, W. Kohn, and G.-H. Qian, Phys. Rev. B PRBMDO 0163-1829 32, 5693 (1985). 10.1103/PhysRevB.32.5693
12. J. Bardeen, Phys. Rev. 49, 653 (1936); PHRVAO 0031-899X 10.1103/PhysRev.49.653
13. it is interesting that the classical result Vim(z)=-e2/4z is valid both for a semi-infinite dielectric media as for a dielectric slab [see M. Kumagai and T. Takagahara, Phys. Rev. B PRBMDO 0163-1829 40, 12359 (1989)], as long as the dielectric constant of the slab material is much larger than the one of the surrounding material (metallic limit). 10.1103/PhysRevB.40.12359
14. C.-O. Almbladh and U. von Barth, Phys. Rev. B PRBMDO 0163-1829 31, 3231 (1985). 10.1103/PhysRevB.31.3231
15. L.J. Sham, Phys. Rev. B PRBMDO 0163-1829 32, 3876 (1985). 10.1103/PhysRevB.32.3876
16. A.G. Eguiluz, Phys. Rev. Lett. 68, 1359 (1992). PRLTAO 0031-9007 10.1103/PhysRevLett.68.1359
17. A. Solomatin and V. Sahni, Ann. Phys. (N.Y.) APNYA6 0003-4916 259, 97 (1997). 10.1006/aphy.1997.5705