Sugestões de artigos para os seminários Teoricos 1) Drastic changes for segregation and wetting between flat and vicinal surfaces of binary alloys J. Creuze.

Apresentação em tema: "Sugestões de artigos para os seminários Teoricos 1) Drastic changes for segregation and wetting between flat and vicinal surfaces of binary alloys J. Creuze."— Transcrição da apresentação:

1 Sugestões de artigos para os seminários Teoricos 1) Drastic changes for segregation and wetting between flat and vicinal surfaces of binary alloys J. Creuze et al. Surf. Sci. 553 (2004) 168-180. 2) Temperature dependence of atomic relaxation and vibrations for the vicinal Ni(977) surface: a molecular dynamics study Jianyu Yang et al., Surf. Sci. 572 (2004) 439-448. 3) Bromine atom diffusion on stepped and kinked copper surfaces D.M. Rampulla et al., Surf. Sci. 600 (2006) 2171-2177 (Diogo, 10/11/2006) 4) First principles study of the electronic and geometric structure of Cu(532) Faisal Mehmood et al., Surf. Sci. (2006) in press 5) Kinetic pathway for the formation of Fe nanowires on stepped Cu(111) surfaces Yina Mo et al. Phys. Rev. Lett. 94 (2005) 155503 6) Kinetics of ammonia oxidation on stepped platinum surfaces. II. Simulation results A. Scheibe et al., Surf. Sci. 576 (2005) 131-144. (Guilherme, 14/11/2006) 7) Diffusion process and growth on stepped metal surfaces J. Merikoski et al., Phys. Rev. B 52 (1995) R8715. 8) Linear scaling of the interlayer relaxations of the vicinal Cu(p,p,p-2) surfaces with number of atom-rows in the terraces J.L.F da Silva et al., Surf. Sci. 600 (2006) 3008-3014. (Damião, 22/09/2006)

2 Experimentais 1) Magnetism, structure and moprhology of thin cobalt films deposit on Cu(115) Anne Chaumin Midoir et al, Surf. Sci 532-535 (2003) 70-75. (Mário, 06/10/2006) 2) Ag nanostructures on Au(788): A self-assembled superlattice of metallic quantum resonators Clément Didiot et al., Surf. Sci. (2006) in press. (Fábio, ??/??/2006) 3) One-dimensional chains of C60 molecules on Cu(221) A. Tamai et al., Surf. Sci. 566-568 (2004) 633-637 4) Growth and surface alloying of Fe on Pt(997) Tae-Yon Lee et al., Surf. Sci. 600 (2006) 3266-3273. 5) Kinetics of ammonia oxidation on stepped platinum surfaces. I. Experimental results A. Scheibe et al., Surf. Sci. 577 (2005) 1-14. (Wendell, 14/11/2006) 6) Oxygen adsorption and oxidation reactions on Au(211) surfaces: Exposures using O2 at high pressures and ozone (O3) in UHV Jooho Kim et al., Surf. Sci. (2006) in press 7) Atomic structure of a long-range ordered vicinal surface of SrTiO3 X. Torrelles et al., Surf. Sci 589 (2005) 184-191. 8) The step distance dependence of the kink creation energy determined on vicinal silver surfaces M.F. Chang et al., 432 (1999) 21-26. 9) Growth and surface morphology: epitaxial MgO films and the Ag(1,1,19) substrate J. Kramer et al., Surf. Sci 537 (2003) 265-275. 10) "Magic" heteroepitaxial growth on vicinal surfaces Y. Garreau et al., Phys. Rev. Lett. 91 (2003) 116101. 11) Steps, facets and nanostructures: investigations of Cu(11n) surfaces N. Reinecke et al., Appl. Phys. A 75 (2002) 1-10.

3 Teoricos e experimentais 1) Atomistic mechanisms for the ordered growth of Co nanodots on Au(788): a comparison between VT-STM experiments and multi-scaled calculations S. Rohart et al. Surf. Sci. 559 (2004) 47-62. 2) Ethylene dissociation on flat and stepped Ni(111): a combined STM and DFT study Ronnie T. Vang et al., Surf. Sci. 600 (2006) 66-77 (Gustavo, 27/10/2006)

4 Do m Seg.Ter.Qua. Qui.Sex.Sab 12345 6789101112 13141516171819 20212223242526 2728293031 Agosto Do m Seg.Ter.Qua. Qui.Sex.Sab 12 3456789 10111213141516 17181920212223 24252627282930 Setembro Do m Seg.Ter.Qua. Qui.Sex.Sab 1234567 891011121314 15161718192021 22232425262728 293031 Outubro Do m Seg.Ter.Qua. Qui.Sex.Sab 1234 567891011 12131415161718 19202122232425 2627282930 Novembro Do m Seg.Ter.Qua. Qui.Sex.Sab 12 3456789 10111213141516 17181920212223 24252627282930 Dezembro 34 aulas Avaliação: 2 provas (33 pontos cada) 1 seminário (33 pontos)

5 Superfícies estudadas

6 fcc(111)

7 Direção paralela aos steps Au(23 23 23) -> m * =0.254 m c Cu(11 11 9) -> m * =0.46 m c Centro da banda k y =0 Au(111) -> m * =0.255 m c Cu(111) -> m * =0.412 m c Au(23 23 23) -> m * =0.254 m c Cu(11 11 9) -> m * =0.46 m c

8 Direção perpendicular aos steps Geometria do experimento

9 v-Au(111)

10

11 v-Cu(111)

12 Análise usando um modelo de Kronig-Penney Relação de dispersão Energia do fundo da banda quando d   (terraco de largura infinita Coeficiente de transmissão fase

13 U 0 b = 0  |T| = 1 e  = 0 sub-bandas devido a presença de uma super- estrutura