Computational materials science
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
Table of contents
- 1
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Density functional calculations for polymers and clusters - progress and limitationsJones, R.O. et al. | 2001
- 7
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Scaling relations and universality in electrical failure processes of thin films: is it possible to predict failure times?Pennetta, C. et al. | 2001
- 13
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Investigation of the role of compositional effects on electromigration damage of metallic interconnectsPennetta, C. et al. | 2001
- 19
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Influence of surface degrees of freedom on the adsorption of Ge ad-atoms on Si(100)Dalpian, G.M. et al. | 2001
- 24
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Electronic structure of the polar ZnO{0001}-surfacesCarlsson, Johan M. et al. | 2001
- 32
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First-principles study of InP and GaP(001) surfacesPulci, O. et al. | 2001
- 38
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Electronic structure of twist grain-boundaries in ZnO and the effect of Sb dopingDomingos, Helder S. et al. | 2001
- 44
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Energetics and diffusivity of atomic boron in silicon by density-functional-based tight-binding simulationsAlippi, Paola et al. | 2001
- 49
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Ab initio study of the high-pressure phase transition from the cubic-diamond to the b-tin structure of SiGaál-Nagy, K. et al. | 2001
- 56
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Tight-binding-based empirical potentials: Molecular dynamics of wafer bondingScheerschmidt, Kurt et al. | 2001
- 62
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Ab initio studies of the Si1-xGex alloy and its intrinsic defectsVenezuela, P. et al. | 2001
- 67
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First-principle study of C 1s core-level shifts in amorphous carbonHaerle, Rainer et al. | 2001
- 73
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Formation energies of metal impurities in GaNChisholm, J.A. et al. | 2001
- 78
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Ab initio optical properties of BN in the cubic and in the layered hexagonal phaseSatta, Guido et al. | 2001
- 81
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Ab initio and classical simulations of defects in SrTiO3Astala, R. et al. | 2001
- 87
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Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystalsKoval, S. et al. | 2001
- 94
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Cation polarizability from first-principles: Sn2+Bernasconi, Leonardo et al. | 2001
- 99
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Electronic structure, hyperfine interactions and disordering effects in iron nitride Fe4NTimoshevskii, A.N. et al. | 2001
- 106
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Monte Carlo simulations of dielectric relaxation in Na-mordenitesMaurin, G. et al. | 2001
- 112
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Ab initio study of incommensurately modulated crystalsCaracas, Razvan et al. | 2001
- 118
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Model potential nonlocal density functional calculations of small cobalt clusters, Con,n5Pereiro, M. / Man'kovsky, S. / Baldomir, D. et al. | 2001
- 118
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Model potential nonlocal density functional calculations of small cobalt clusters, Con,n<=5Pereiro, M. et al. | 2001
- 123
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Dynamic structure factor of goldGurtubay, I.G. et al. | 2001
- 129
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An inhomogeneous and anisotropic Jastrow function for non-uniform many-electron systemsGarcia-Lekue, A. et al. | 2001