Electron emission from diamondoids: A diffusion quantum Monte Carlo study

Physical Review Letters

Volumn 95, Issue 9, 2005, Pages

  Drummond, N D ^a   Williamson, A J ^b   Needs, R J ^a   Galli, G ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); NEGATIVE ELECTRON AFFINITY (NEA); OPTICAL GAP; QUANTUM MONTE CARLO (QMC);

DIFFUSION IN SOLIDS; MONTE CARLO METHODS; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; VOLTAGE MEASUREMENT;

ELECTRON EMISSION;

EID: 27144488676     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.95.096801     Document Type: Article

References (27)

1. W. Wilson, P. Szajowski, and L. Brus, Science SCIEAS 0036-8075 262, 1242 (1993).
2. G. Medeiros-Ribeiro, Science SCIEAS 0036-8075 279, 353 (1998). 10.1126/science.279.5349.353
3. J.E. Dahl, S.G. Liu, and R.M.K. Carlson, Science SCIEAS 0036-8075 299, 96 (2003). 10.1126/science.1078239
4. F. Himpsel, Phys. Rev. B PRBMDO 0163-1829 20, 624 (1979). 10.1103/PhysRevB.20.624
5. M.J. Rutter and J. Robertson, Phys. Rev. B PRBMDO 0163-1829 57, 9241 (1998). 10.1103/PhysRevB.57.9241
6. Y.K. Chang, Phys. Rev. Lett. 82, 5377 (1999). PRLTAO 0031-9007 10.1103/PhysRevLett.82.5377
7. J.-Y. Raty, Phys. Rev. Lett. 90, 037401 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.90.037401
8. S. Hosokawa, J. Electron Spectrosc. Relat. Phenom. JESRAW 0368-2048 137, 235 (2004). 10.1016/j.elspec.2004.02.029
9. A. Barnard, S. Russo, and I. Snook, Phys. Rev. B PRBMDO 0163-1829 68, 073406 (2003). 10.1103/PhysRevB.68.073406
10. G. Lee, Phys. Rev. Lett. 91, 265701 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.265701
11. N. Park, Phys. Rev. B PRBMDO 0163-1829 69, 195411 (2004). 10.1103/PhysRevB.69.195411
12. G. McIntosh, M. Yoon, S. Berber, and D. Tománek, Phys. Rev. B PRBMDO 0163-1829 70, 045401 (2004). 10.1103/PhysRevB.70.045401
13. Y. Tang, Chem. Phys. Lett. 372, 320 (2003). CHPLBC 0009-2614 10.1016/S0009-2614(03)00374-9
14. A.J. Williamson, Phys. Rev. Lett. 89, 196803 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.196803
15. M.D. Towler, R.Q. Hood, and R.J. Needs, Phys. Rev. B PRBMDO 0163-1829 62, 2330 (2000). 10.1103/PhysRevB.62.2330
16. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
17. F. Gygi, The GP Code LLNL, 2004.
18. F. Gygi, The QBox Code LLNL, 2004.
19. The ABINIT code is a common project of the Université Catholique de Louvain, Corning, Inc., and other contributors, http://www.abinit.org, 2004.
20. M. Frisch, computer code Gaussian 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA, 2003.
21. A. Yoffe, Adv. Phys. 51, 799 (2002). ADPHAH 0001-8732 10.1080/00018730110117451
22. T.J. Dunning, J. Chem. Phys. 90, 1007 (1989). JCPSA6 0021-9606 10.1063/1.456153
23. R.J. Needs, Casino version 1.6 User Manual (University of Cambridge, Cambridge, 2002).
24. W.M.C. Foulkes, Rev. Mod. Phys. 73, 33 (2001). RMPHAT 0034-6861 10.1103/RevModPhys.73.33
25. T. Ziegler, A. Rauk, and E.J. Baerends, Theor. Chim. Acta TCHAAM 0040-5744 43, 261 (1977). 10.1007/BF00551551
26. D. Prendergast, J. Am. Chem. Soc. 126, 13827 (2004). JACSAT 0002-7863 10.1021/ja048038p
27. L. Benedict, Phys. Rev. B PRBMDO 0163-1829 68, 085310 (2003). 10.1103/PhysRevB.68.085310