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)
Transcript
Sugestões de artigos para os semináriosTeoricos
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)
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) 633-6374) 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 press7) 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.
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)
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34 aulas
Avaliação: 2 provas (33 pontos cada)1 seminário (33 pontos)
Superfícies estudadas
fcc(111)
Direção paralela aos steps
Au(23 23 23) -> m*=0.254 mc
Cu(11 11 9) -> m*=0.46 mc Centro da banda ky=0
Au(111) -> m*=0.255 mc
Cu(111) -> m*=0.412 mc
Au(23 23 23) -> m*=0.254 mc
Cu(11 11 9) -> m*=0.46 mc
Direção perpendicular aos steps
Geometria do experimento
v-Au(111)
v-Cu(111)
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
U0b = 0 |T| = 1 e = 0 U0b = 0 |T| = 1 e = 0
sub-bandas devido a presença de uma super-estrutura
