Surface physics SISSA group: publications from 1991

Last update: 20 March 2000

1

G. Jug and E. Tosatti, ``Incommensurate surface phases in a model of reconstruction and roughening'', Physica A175, 59 (1991).

2

F. Ercolessi, W. Andreoni and E. Tosatti, ``Melting of small gold particles: mechanism and size effects'', Phys. Rev. Lett. 66, 911 (1991).

3

F. Ancilotto, A. Selloni and E. Tosatti, ``Symmetry-breaking relaxation of vacancies on Si(111) 2x1'', Phys. Rev. B 43, 5180 (1991).

4

E. Tosatti and F. Ercolessi, ``Surface reconstruction of noble metals: models and consequences'', Modern Physics Letters B 5, 413 (1991).

5

X. J. Chen, F. Ercolessi, A. C. Levi and E. Tosatti, ``Molecular dynamics study of diffusion in a molten surface'', Surf. Sci. 249, 237 (1991).

6

X. J. Chen, A. C. Levi and E. Tosatti, ``Hamaker constant calculations and surface melting of metals, semimetals, and semiconductors'', Il Nuovo Cimento D 13, 919 (1991).

7

X. J. Chen, A. C. Levi and E. Tosatti, ``Hamaker constant calculations and surface melting of metals'', Surf. Sci. 251/252, 641 (1991).

8

F. Ercolessi, S. Iarlori, O. Tomagnini, E. Tosatti and X. J. Chen, ``Surface melting simulation of Au(110)'', Surf. Sci. 251/252, 645 (1991).

9

S. Iarlori, F. Ercolessi and E. Tosatti, ``Liquid metal surface: positional and orientational correlations'', Surf. Sci. 251/252, 951 (1991).

10

E. Tosatti, ``The physics of tip-surface approaching: speculations, and open issues'', in Highlights in Condensed Matter Physics and Future Prospects, ed. by L. Esaki, Plenum Press, New York, 1991, p. 631.

11

G. Bilalbegovic, F. Ercolessi and E. Tosatti, ``High-temperature surface faceting'', Surf. Sci. 258, L676 (1991).

12

N. Takeuchi, A. Selloni, A. I. Shkrebtii, and E. Tosatti, ``Structural and electronic properties of the (111) 2x1 surface of Ge from first principles calculations'', Phys. Rev. B 44, 13611 (1991).

13

C. Astaldi, A. Bianco, S. Modesti, and E. Tosatti, ``Vibrational spectra of atomic H and D on Cu(110): evidence for H delocalization'', Phys. Rev. Lett. 68, 66 (1992).

14

G. Bilalbegovic, F. Ercolessi and E. Tosatti, ``Orientational phase separation for vicinal surfaces close to the nonmelting Pb(111) face'', Europhys. Lett. 17, 333 (1992).

15

X. J. Chen, F. Ercolessi, A. C. Levi and E. Tosatti, ``Surface supermelting with a long-range potential: a molecular dynamics study'', Surf. Sci. 264, 207 (1992).

16

G. Bilalbegovic, F. Ercolessi and E. Tosatti, ``Reconstruction-induced surface faceting: the contrasting behaviour of Au(111) and Pb(111)'', Europhys. Lett. 18, 163 (1992).

17

H. S. Lim, C. K. Ong and F. Ercolessi, ``Stability of face-centered cubic and icosahedral lead clusters'', Surf. Sci. 269/270, 1109 (1992).

18

G. Mazzeo, G. Jug, A. C. Levi, and E.Tosatti, ``Monte Carlo study of phase transitions ,and scattering intensities in a model of Au(110)'', Surf. Sci. 273, 237 (1992).

19

G. Mazzeo, G. Jug, A. C. Levi, and E.Tosatti, ``Sublattice order parameter in the BCSOS model: a finite-size Monte Carlo study'', J. Phys. A:Math. Gen. 25, L967 (1992).

20

N. Takeuchi, A. Selloni, and E. Tosatti, ``Do we know the true structure of Ge(111) c(2x8)?'', Phys. Rev. Lett. 69, 648 (1992).

21

A. Trayanov and E. Tosatti, ``Surface supermelting'', Solid State Comm. 84, 177 (1992).

22

S. Iarlori, G. Galli, F. Gygi, M. Parrinello, and E. Tosatti, ``Reconstruction of the diamond (111) surface'', Phys. Rev. Lett. 69, 2947 (1992).

23

A. Dal Corso and E. Tosatti, ``Face-dependent Hamaker constants and surface melting or non-melting on non-cubic crystals'', Phys. Rev. B 47, 9742 (1993).

24

G. Bilalbegovic, F. Ercolessi and E. Tosatti, ``High-temperature morphology of stepped gold surfaces'', Surf. Sci. 280, 335 (1993).

25

G. Bilalbegovic and E. Tosatti, ``Incomplete melting of the Au(100) surface'', Phys. Rev. B 48, 11240 (1993).

26

M. Bernasconi, G. L. Chiarotti and E. Tosatti, ``The (001) surface of alpha-Ga is covered with GaIII'', Phys. Rev. Lett. 70, 3295 (1993). Abstract.

27

M. Bernasconi and E. Tosatti, ``Reconstruction, disordering, and roughening of metal surfaces'', Surf. Sci. Rep. 17, 363 (1993).

28

G. Mazzeo, G. Jug, A. C. Levi and E. Tosatti, ``Sublattice disordering (preroughening) and roughening in non-reconstructing FCC (110) surfaces'', Europhys. Lett. 22, 39 (1993).

29

N. Takeuchi, A. Selloni and E. Tosatti, ``First-principles calculations for the cleaved and annealed Ge(111) surface'', Surf. Sci. 287, 303 (1993).

30

F. Ercolessi, O. Tomagnini, S. Iarlori and E. Tosatti, ``Molecular dynamics simulations of metal surfaces: surface melting and non-melting, and tip-surface interactions'', in Nanosources and manipulation of atoms under high fields and temperatures: applications, ed. by Vu Thien Binh, N. Garcia and K. Dransfeld, NATO ASI Series, Vol. E 235 (Kluwer, Dordrecht, 1993), p. 185.

31

H. S. Lim, C. K. Ong and F. Ercolessi, ``Surface effects in vibrational and melting properties of Pb clusters'', Zeitschrift für Physik D 26, S45 (1993).

32

O. Tomagnini, F. Ercolessi and E. Tosatti, ``Microscopic interaction between a gold tip and a Pb(110) surface'', Surf. Sci. 287/288, 1041 (1993).

33

A. Kara, C. S. Jayanthi, S. Y. Wu and F. Ercolessi, ``A local analysis of the dynamics of the relaxed and reconstructed Au(511) surface using the Real Space Green's Function method'', Phys. Rev. Lett. 72, 2223 (1994).

34

N. Takeuchi, A. Selloni and E. Tosatti, ``Metallization and incomplete melting of a semiconductor surface at high temperature'', Phys. Rev. Lett. 72, 2227 (1994).

35

G. Mazzeo, G. Jug, A. C. Levi, and E. Tosatti, ``Roughening and preroughening in non reconstructed fcc(110) surfaces: a Monte Carlo study'', Phys. Rev. B 49, 7625 (1994).

36

N. Takeuchi, A. Selloni, and E. Tosatti, ``Correlated adatom diffusion and disordering at the Ge (111) c(2x8) - (1x1) surface transition'', Phys. Rev. B 49, 10757 (1994).

37

G. Santoro and M. Fabrizio, ``Disordered flat phase in a solid-on-solid model of fcc(110) surfaces and dimer states in quantum spin 1/2 chains'', Phys. Rev. B 49, 13886 (1994). Abstract.

38

N. Takeuchi, A. Selloni and E. Tosatti, ``Energy barriers, adatom diffusion, and disordering of the Ge (111) c(2x8) surface at T=300C'', Surf. Sci. 307-309, 755 (1994).

39

M. Bernasconi, G. L. Chiarotti and E. Tosatti, ``Solid-state self wetting phenomena at the (001) surface of semimetallic alpha-Ga'', Surf. Sci. 307-309, 936 (1994).

40

M. Gulacsi, A. C. Levi and E. Tosatti, ``Mapping of crystal surfaces onto the five-vertex model'', Phys. Rev. E 49, 3843 (1994).

41

B. N. J. Persson and E. Tosatti, ``What can high-resolution EELS spectroscopy tell about premelting of semiconductor surfaces at high temperatures?'', Surf. Sci. 312, 198 (1994).

42

B. N. J. Persson and E. Tosatti, ``Layering transition in confined molecular thin films: nucleation, growth, and analogy with spreading of wetting drop'', Phys. Rev. B 50, 5590 (1994).

43

H. S. Lim, C. K. Ong and F. Ercolessi, ``Icosahedra from liquid droplets?'', Computational Materials Science 2, 495 (1994).

44

C. P. Toh, C. K. Ong and F. Ercolessi, ``Molecular dynamics study of surface relaxation, stress, and disordering of Pb(110)'', Phys. Rev. B 50, 17507 (1994).

45

S. Modesti, V. R. Dhanak, M. Sancrotti, A. Santoni, B. N. J. Persson, and E. Tosatti, ``High-temperature surface metallization of Ge(111) detected by Electron Energy Loss'', Phys. Rev. Lett. 73, 1951 (1994).

46

D. Cvetko, L. Floreano, A. Morgante, M. Peloi, F. Tommasini, K. C. Prince, M. Vendruscolo and E. Tosatti, ``Evolution of the missing row deconstruction of Rh(110)'', Surf. Sci. 318, L1193 (1994).

47

O. Gülseren, F. Ercolessi and E. Tosatti, ``Premelting of thin wires'', Phys. Rev. B 51, 7377 (1995). Abstract.

48

N. Takeuchi, A. Selloni, and E. Tosatti, ``Atomic dynamics and structure of the Ge(111)c(2x8) surface'', Phys. Rev. B 51, 10844 (1995).

49

F. D. Di Tolla, F. Ercolessi and E. Tosatti, ``Maximum overheating and partial wetting of non-melting crystal surfaces'', Phys. Rev. Lett. 74, 3201 (1995). Abstract.

50

A. Kara, C. S. Jayanthi, S. Y. Wu and F. Ercolessi, ``Structure and dynamics of the reconstructed Au(511) surface'', Phys. Rev. B 51, 17046 (1995).

51

A. M. Raphuthi, X. Q. Wang, F. Ercolessi and J.B. Adams, ``Temperature dependence of surface phonons of Al(110)'', Phys. Rev. B 52, R5554 (1995).

52

M. Bernasconi, G. L. Chiarotti, and E. Tosatti, ``Theory of the structural and electronic properties of alpha-Ga(001) and alpha-Ga(010) surfaces'', Phys. Rev. B 52, 9988 (1995).

53

M. Bernasconi, G. L. Chiarotti, and E. Tosatti, ``Ab-initio calculations of structural and electronic properties of alpha-gallium surfaces'', Phys. Rev. B 52, 9999 (1995).

54

E. Tosatti, ``Surface states, surface metal-insulator, and surface insulator-metal transitions'', in Electronic surface and interface states on metallic systems, E. Bertel and M. Donath (Eds.), World Scientific, Singapore, 1995, p.67. Abstract.

55

S. Prestipino, G. Santoro and E. Tosatti, ``Preroughening, diffusion, and growth of a fcc(111) surface'', Phys. Rev. Lett. 75, 4468 (1995).

56

B. Kohler, P. Ruggerone, M. Scheffler, and E. Tosatti, ``Enhanced electron-phonon coupling at the Mo and W(110) surfaces induced by adsorbed hydrogen'', Z. Physikalische Chemie 197, 193 (1996). Abstract.

57

O. Tomagnini, F. Ercolessi, S. Iarlori, F. D. Di Tolla and E. Tosatti, ``Role of layering oscillations at liquid metal surfaces in bulk recrystallization and surface melting'', Phys. Rev. Lett. 76, 1118 (1996). Abstract.

58

B. N. J. Persson and E. Tosatti, ``Theory of friction: elastic coherence length and earthquake dynamics'', in The Physics of Sliding Friction, ed. by B. N. J. Persson and E. Tosatti, Kluwer Academic, Dordrecht (1996), p.179.

59

F. D. Di Tolla, E. Tosatti, and F. Ercolessi, ``Interplay of melting, wetting, overheating and faceting on metal surfaces: theory and simulation'', in Monte Carlo and molecular dynamics of condensed matter systems, K. Binder and G. Ciccotti (Eds.), SIF, Bologna, 1996, p.345.

60

G. Santoro, M. Vendruscolo, S. Prestipino, and E. Tosatti, ``Disordered flat phase and phase diagram for restricted solid on solid models of fcc(110) surfaces'', Phys. Rev. B 53, 13169 (1996). Abstract.

61

Z.-Y. Lu, G. L. Chiarotti, S. Scandolo, and E. Tosatti, ``Atomic and electronic structure of the ideal and reconstructed alpha-Sn(111) surface'', Phys. Rev. B 54, 11769 (1996). Abstract.

62

A. M. Saitta, F. Buda, G. Fiumara, and P. V. Giaquinta, ``Ab-initio molecular dynamics of silicon quantum wires: orientational effects'', Phys. Rev. B 53, 1446 (1996).

63

A. Filippetti, V. Fiorentini, K. Stokbro, R. Valente, and S. Baroni, ``Formation energy, relaxations, and stress of low index Rh surfaces'', in Materials Theory, Simulations, and Parallel Algorithms, edited by E. Kaxiras and J. D. Johannopoulos, MRS Proceedings 408, 457 (1996).

64

C. Bungaro, S. de Gironcoli, and S. Baroni, ``Theory of the anomalous Rayleigh dispersion at H/W(110) surfaces'', Phys. Rev. Lett. 77, 2491 (1996).

65

F. Celestini, F. Ercolessi, and E. Tosatti, ``Can liquid metal surfaces have hexatic order?'', Phys. Rev. Lett. 78, 3153 (1997). Abstract.

66

K. Stokbro and S. Baroni, ``The surface chemistry of metal-oxygen interactions: a first-principles study of O:Rh(110)'', Surf. Sci. 370, 166 (1997). Abstract.

67

D. Alfè and S. Baroni, ``The structure and phase stability of CO adsorbates on Rh(110)'', Surf. Sci. Lett. 382, L666 (1997). Abstract.

68

F. Ercolessi, F. D. Di Tolla and E. Tosatti, ``The microscopic origin of non-melting and surface overheating at close-packed metal surfaces'', Surf. Rev. Lett. 4, 833 (1997).

69

F. Celestini, F. Ercolessi and E. Tosatti, ``Long-ranged orientational correlations at undercooled liquid metal surfaces'', Surf. Rev. Lett. 4, 839 (1997).

70

S. Prestipino, C. S. Jayanthi, F. Ercolessi, and E. Tosatti, ``Preroughening, and disordered flat phase separation in surface molecular dynamics simulations'', Surf. Rev. Lett. 4, 843 (1997).

71

D. Passerone and E. Tosatti, ``Surface rotational disordering in crystalline C60'', Surf. Rev. Lett. 4, 859 (1997).

72

F. Ercolessi and E. Tosatti, ``Missing-row contractive reconstruction on Au(311)'', Surf. Rev. Lett. 4, 1109 (1997).

73

F. D. Di Tolla, F. Ercolessi and E. Tosatti, ``Blocked surface melting on Pb(100)'', in Advances in Computational Materials Science, edited by V. Fiorentini and F. Meloni, SIF, Bologna (1997), p. 53.

74

D. Passerone, F. Ercolessi and E. Tosatti, ``High temperature study of flat reconstructed Au(100) and its vicinals'', Surf. Sci. 377-379, 27 (1997).

75

S. Prestipino and E. Tosatti, ``Disordered flat phase in a solid-on-solid model fcc(111) surface'', Surf. Sci. 377-379, 509 (1997).

76

G. Santoro, A. Laio, M. Fabrizio and E. Tosatti, ``Interacting hard-core bosons and surface physics'', Surf. Sci. 377-379, 514 (1997).

77

F. Celestini, F. Ercolessi and E. Tosatti, ``Role of orientational order at surface-initiated recrystallization of a liquid metal'', Surf. Sci. 377-379, 914 (1997).

78

N. Takeuchi, A. Selloni, and E. Tosatti, ``Transition from surface vibrations to liquid-like dynamics at an incompletely melted semiconductor surface'', Phys. Rev. B 55, 15405 (1997).

79

A. Ruini, R. Resta, and S. Baroni, ``Dynamical-charge neutrality at a crystal surface'', Phys. Rev. B 57, 5742 (1998). Abstract.

80

S. Prestipino and E. Tosatti, ``Preroughening, fractional layer occupancies and phase separation at a disordered flat metal surface'', Phys. Rev. B 57, 10157 (1998). Abstract.

81

M. Lazzeri and S. de Gironcoli, ``Ab-initio dynamical properties of Be (0001) surface'', Surf. Sci. 402-404, 715 (1998).

82

G. Santoro, S. Sorella, F. Becca, S. Scandolo and E. Tosatti, ``Metallic charge-density waves and surface Mott insulators for adlayer structures on semiconductors: extended Hubbard modeling'', Surf. Sci. 402-404, 802 (1998). Abstract.

83

S. Scandolo, F. Ancilotto, G. L. Chiarotti, G. Santoro, S. Serra, and E. Tosatti, ``First principles calculations of charge- and spin-density waves of sqrt{3}-adsorbates on semiconductors'', Surf. Sci. 402-404, 808 (1998). Abstract.

84

G. Santoro, A. Laio and E. Tosatti, ``Step-step interactions and correlations from 1D hard-core boson mapping'', Surf. Sci. 402-404, 880 (1998).

85

F. Celestini, D. Passerone, F. Ercolessi, and E. Tosatti, ``Realistic grand canonical Monte Carlo surface simulation: application to Ar(111)'', Surf. Sci. 402-404, 886 (1998).

86

D. Alfè, S. de Gironcoli, and S. Baroni, ``The reconstruction of Rh(001) upon oxygen adsorption'', Surf. Sci. 410, 151 (1998). Abstract.

87

Z.-Y. Lu, G. L. Chiarotti, S. Scandolo, and E. Tosatti, ``Theory of the 2x2 and 3x3 reconstructions of the alpha-Sn (111) surface'' Il Nuovo Cimento D 20 D, 1013 (1998).

88

O. Gülseren, F. Ercolessi and E. Tosatti, ``Non-crystalline structures of ultra-thin unsupported nanowires'', Phys. Rev. Lett 80, 3775 (1998). Abstract. Reviewed by U. Landman, Physics World, July 1998, p.18.

89

B. N. J. Persson and E. Tosatti, ``The puzzling collapse of electronic sliding friction on a superconductor surface'', Surf. Sci. 411, L855 (1998).

90

M. Lazzeri and S. de Gironcoli, ``Ab initio study of Be(0001) surface thermal expansion'', Phys. Rev. Lett 81, 2096 (1998).

91

A. Laio, G. Santoro, and E. Tosatti, ``Interacting hard-core bosons and surface preroughening'', Phys. Rev. B 58, 13151 (1998). Abstract.

92

Z.-Y. Lu, G. L. Chiarotti, S. Scandolo, and E. Tosatti, ``Atomic and electronic structure of ideal and reconstructed alpha-Sn (100) surfaces'', Phys. Rev. B 58, 13698 (1998).

93

J. Xie, S. de Gironcoli, S. Baroni, and M. Scheffler, ``Temperature dependent surface relaxations of Ag(111)'', Phys. Rev. B 59 (1 jan 1999). Abstract.

94

G. Santoro, S. Scandolo, and E. Tosatti, ``Charge density waves and surface Mott insulators for adlayer structures on semiconductors: extended Hubbard modeling'', Phys. Rev. B 59, 1891 (1999). Abstract.

95

D. Passerone, E. Tosatti, G. L. Chiarotti, and F. Ercolessi, ``Variable curvature slab molecular dynamics as a method to determine surface stress'', Phys. Rev. B 59, 7687 (1999). Abstract.

96

D. Alfè, S. de Gironcoli, and S. Baroni, ``The reconstruction of Ni and Rh(001) surfaces upon carbon, nitrogen, or oxygen adsorption'', Surf. Sci., submitted (1998). Abstract.

97

S. Prestipino and E. Tosatti, ``Variational theory of preroughening'', Phys. Rev. B 59, 3108 (1999).

98

B. N. J. Persson and E. Tosatti, ``Theory of friction: elastic coherence length and earthquake dynamics'', Solid St. Comm. 109, 739 (1999).

99

B. N. J. Persson, E. Tosatti, D. Fuhrmann, G. Witte, and Ch. Woell, ``Low-frequency adsorbate vibrational relaxation and sliding friction'', Phys. Rev. B 59, 11777 (1999).

100

J. A. Torres, E. Tosatti, A. Dal Corso, F. Ercolessi, J. J. Kohanoff, F. D. Di Tolla and J. M. Soler, ``The puzzling stability of monoatomic gold wires'', Surf. Sci. Lett. 426, L441 (1999).

101

A. V. Petukhov, A. Fasolino, D. Passerone, and F. Ercolessi, ``Reconstruction of diamond (001) surface: a Monte Carlo study with the Tersoff potential'', Phys. Stat. Sol. (a) 174, 19 (1999).

102

V. I. Anisimov, A. E. Bedin, M. A. Korotin, G. Santoro, S. Scandolo, and E. Tosatti, ``SiC(0001): a surface Mott-Hubbard insulator'', Phys. Rev. B, to appear (1999).

103

E. A. Jagla, S. Prestipino, and E. Tosatti, ``Surface-melting-induced preroughening'', Phys. Rev. Lett. 83, 2753 (1999).

104

F. Celestini, D. Passerone, F. Ercolessi, and E. Tosatti, ``Reentrant layering in rare gas adsorption: preroughening or premelting?'', Phys. Rev. Lett. 84, 2203 (2000).

105

D. Passerone, F. Ercolessi, F. Celestini, and E. Tosatti, ``Realistic simulations of Au(100): grand canonical Monte Carlo and molecular dynamics'', Surf. Rev. Letters 6, to appear (1999).

106

E. A. Jagla, S. Prestipino, and E. Tosatti, ``Phase transitions at the early stages of surface melting'', Surface Sci., to appear (2000).

107

F. Di Tolla, A. Dal Corso, J. A. Torres, E. Tosatti, ``Electronic properties of ultra-thin aluminum nanowires'', Surface Sci., to appear (2000).

108

G. Santoro, S. Scandolo, E. Tosatti, ``Spectroscopic fingerprints of a surface Mott-Hubbard insulator: the case of SiC(0001)'', Surface Sci., to appear (2000).

109

D. Passerone, F. Ercolessi, and E. Tosatti, ``Adsorbtion, desorption, and a moving surface step on a hexagonal reconstructed (100) surface'', Surface Sci., to appear (2000).

110

S. Prestipino, E. A. Jagla, and E. Tosatti, ``Can one have preroughening of vicinal surfaces?'', Surface Sci., to appear (2000).

111

S. De Gironcoli, S. Scandolo, G. Ballabio, G. Santoro, and E. Tosatti, ``The mechanism for the 3x3 distortion of Sn/Ge(111)'', Surface Sci., to appear (2000).

112

E. A. Jagla and E. Tosatti, ``Surface defreezing of glasses'', submitted (1999).

113

B. N. J. Persson and E. Tosatti, ``Qualitative theory of rubber friction and wear'', J. Chem. Phys. 112, to appear (2000).

114

D. Ceresoli, M. Bernasconi, S. Iarlori, M. Parrinello, and E. Tosatti, ``Two-membered silicon rings on the dehydroxylated surface of silica'', submitted (1999).

115

D. Passerone, E. Tosatti and F. Ercolessi, ``Islands, craters, and a moving surface step on a hexagonally reconstructed (100) noble metal surface'', Surface Sci., to appear (2000).

116

A. V. Petukhov, D. Passerone, F. Ercolessi, E. Tosatti and A. Fasolino, ``(Meta-)stable reconstructions of the diamond (111) surface: interplay between diamond- and graphite-like bonding'', Phys. Rev. B, to appear (2000).

117

C. S. Jayanthi, F. Celestini, F. Ercolessi, and E. Tosatti, ``Disordered flat phase separation of the Lennard-Jones fcc(111) surface'', Surface Sci. 460, L503 (2000).