Publisher: Elsevier

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Volume 22, Number 1, November 2001

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Investigation of the role of compositional effects on electromigration damage of metallic interconnects
pp. 13-18(6)
Authors: Pennetta, C.; Reggiani, L.; Trefan, G.; Fantini, F.; Scorzoni, A.; de Munari, I.

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Influence of surface degrees of freedom on the adsorption of Ge ad-atoms on Si(100)
pp. 19-23(5)
Authors: Dalpian, G.M.; Fazzio, A.; da Silva, A.J.R.

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Electronic structure of the polar ZnO{0001}-surfaces
pp. 24-31(8)
Author: Carlsson, J.M.

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First-principles study of InP and GaP(001) surfaces
pp. 32-37(6)
Authors: Pulci, O.; Ludge, K.; Vogt, P.; Esser, N.; Schmidt, W.G.; Richter, W.; Bechstedt, F.

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Electronic structure of twist grain-boundaries in ZnO and the effect of Sb doping
pp. 38-43(6)
Authors: Domingos, H.S.; Bristowe, P.D.

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Ab initio study of the high-pressure phase transition from the cubic-diamond to the -tin structure of Si
pp. 49-55(7)
Authors: Gaal-Nagy, K.; Schmitt, M.; Pavone, P.; Strauch, D.

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Tight-binding-based empirical potentials: Molecular dynamics of wafer bonding
pp. 56-61(6)
Authors: Scheerschmidt, K.; Conrad, D.; Wang, Y.

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Ab initio studies of the Si1-xGex alloy and its intrinsic defects
pp. 62-66(5)
Authors: Venezuela, P.; da Silva, A.J.R.; da Silva, C.; Dalpain, G.M.; Fazzio, A.

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First-principle study of C 1s core-level shifts in amorphous carbon
pp. 67-72(6)
Authors: Haerle, R.; Pasquarello, A.; Baldereschi, A.

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Formation energies of metal impurities in GaN
pp. 73-77(5)
Authors: Chisholm, J.A.; Bristowe, P.D.

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Ab initio optical properties of BN in the cubic and in the layered hexagonal phase
pp. 78-80(3)
Authors: Satta, G.; Cappellini, G.; Palummo, M.; Onida, G.

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Ab initio and classical simulations of defects in SrTiO3
pp. 81-86(6)
Authors: Astala, R.; Bristowe, P.D.

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Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals
pp. 87-93(7)
Authors: Koval, S.; Kohanoff, J.; Migoni, R.L.; Bussmann-Holder, A.

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Cation polarizability from first-principles: Sn2+
pp. 94-98(5)
Authors: Bernasconi, L.; Wilson, M.; Madden, P.A.

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Electronic structure, hyperfine interactions and disordering effects in iron nitride Fe4N
pp. 99-105(7)
Authors: Timoshevskii, A.N.; Timoshevskii, V.A.; Yanchitsky, B.Z.; Yavna, V.A.

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Monte Carlo simulations of dielectric relaxation in Na-mordenites
pp. 106-111(6)
Authors: Maurin, G.; Senet, P.; devautour, S.; Henn, F.; Giuntini, J.C.; van Doren, V.E.

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Ab initio study of incommensurately modulated crystals
pp. 112-117(6)
Authors: Caracas, R.; Gonze, X.

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Model potential nonlocal density functional calculations of small cobalt clusters, Con,n=<5
pp. 118-122(5)
Authors: Pereiro, M.; Man'kovsky, S.; Baldomir, D.; Iglesias, M.; Mlynarski, P.; Valladares, M.; Suarez, D.; Castro, M.; Arias, J.E.

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Dynamic structure factor of gold
pp. 123-128(6)
Authors: Gurtubay, I.G.; Pitarke, J.M.; Campillo, I.; Rubio, A.

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An inhomogeneous and anisotropic Jastrow function for non-uniform many-electron systems
pp. 129-136(8)
Authors: Garcia-Lekue, A.; Nekovee, M.; Pitarke, J.M.; Gaudoin, R.

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