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1. • Journal article

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   Effect of the spin-orbit interaction on the thermodynamic properties of crystals: Specific heat of bismuth

   Diaz-Sanchez, L. E. Romero, A. H. Cardona, M. Kremer, René[UCL] Gonze, Xavier[UCL] (2007) Physical Review Letters — Vol. 99, no. 16, p. 165504 : 1-4 (2007)
2. • Journal article

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   Macroscopic limit of time-dependent density-functional theory for adiabatic local approximations of the exchange-correlation kernel

   Gruening, Myrta Gonze, Xavier[UCL] (2007) Physical review. B, Condensed matter and materials physics — Vol. 76, no. 3, p. 035126 : 1-6 (2007)
3. • Journal article

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   Phonon band structure and interatomic force constants for bismuth: Crucial role of spin-orbit interaction

   Diaz-Sanchez, L. E. Romero, A. H. Gonze, Xavier[UCL] (2007) Physical review. B, Condensed matter and materials physics — Vol. 76, no. 10, p. 104302 : 1-7 (2007)
4. • Journal article

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   Electronic properties of zircon and hafnon from many-body perturbation theory

   Shaltaf, Riad[UCL] Rangel, Tonatiuh[UCL] Grüning, Myrta[UCL] Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] Hamann, D.R. (2009) Physical Review B — Vol. 79, no. 19, p. 195101 (2009)
5. • Journal article

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   Lattice dynamics and specific heat of alpha-GeTe: Theoretical and experimental study

   Shaltaf, R.[UCL] Gonze, Xavier[UCL] Cardona, M. Kremer, René[UCL] Siegle, G. (2009) Physical review. B, Condensed matter and materials physics — Vol. 79, no. 7, p. 075204 : 1-7 (2009)
6. • Journal article

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   Density-functional perturbational theory for dielectric tensors in the ultrasoft pseudopotential scheme

   Umari, P Gonze, Xavier[UCL] Pasquarello, A (2004) Physical review. B, Condensed matter and materials physics — Vol. 69, no. 23, p. 235102:1-11 (2004)
7. • Journal article

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   First-principles investigation of high-kappa dielectrics: Comparison between the silicates and oxides of hafnium and zirconium

   Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] Jun, G Cho, KJ Pasquarello, A (2004) Physical review. B, Condensed matter and materials physics — Vol. 69, no. 18 (2004)
8. • Journal article

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   Dielectric constants of Zr silicates: a first-principles study.

   Rignanese, Gian-Marco[UCL] Detraux, F Gonze, Xavier[UCL] Bongiorno, Angelo Pasquarello, Alfredo (2002) Physical Review Letters — Vol. 89, no. 11, p. 117601 (2002)
9. • Journal article

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   Comment on "investigation of the correlation potential from Kohn-Sham perturbation theory".

   Niquet, Yann-Michel[UCL] Fuchs, M Gonze, Xavier[UCL] (2003) Physical review letters — Vol. 90, no. 21, p. 219301; discussion 219302 (2003)
10. • Journal article

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    Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm-Dancoff Approximation.

    Grüning, Myrta Marini, Andrea Gonze, Xavier[UCL] (2009) Nano letters — Vol. 9, no. 8, p. 2820-2824 (2009)
11. • Journal article

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    Polarization Vortices in Germanium Telluride Nanoplatelets: A Theoretical Study

    Durgun, E. Ghosez, Ph. Shaltaf, R.[UCL] Gonze, Xavier[UCL] Raty, J. -Y. (2009) Physical Review Letters — Vol. 103, no. 24, p. 247601 : 1-4 (2009)
12. • Journal article

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    Thermal-expansion of a Yba2cu3o7 Superconducting Ceramic

    Bayot, Vincent[UCL] Dewitte, C. Erauw, JP. Gonze, Xavier[UCL] Lambricht, M. Michenaud, Jean-Pierre[UCL] (1987) Solid State Communications — Vol. 64, no. 3, p. 327-328 (1987)
13. • Journal article

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    Strong Electron-phonon Coupling From Thermal-conductivity Measurements in a Yba2cu3o7-type Superconducting Compound

    Bayot, Vincent[UCL] Delannay, Francis[UCL] Dewitte, C. Erauw, JP. Gonze, Xavier[UCL] Issi, JP. Jonas, Alain M.[UCL] Kinanyalaoui, M. Lambricht, M. Michenaud, Jean-Pierre[UCL] Minet, JP. Piraux, Luc[UCL] (1987) Solid State Communications — Vol. 63, no. 11, p. 983-986 (1987)
14. • Journal article

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    Ab initio determination of the ground-state properties of Ca2MgSi2O7 akermanite

    Caracas, R. Gonze, Xavier[UCL] (2003) Physical review. B, Condensed matter and materials physics — Vol. 68, no. 18, p. 184102:1-7 (2003)
15. • Journal article

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    Anomalous transformations in ice VIII

    Klug, DD Tse, JS Liu, ZX Gonze, Xavier[UCL] Hemley, RJ (2004) Physical review. B, Condensed matter and materials physics — Vol. 70, no. 14, p. 144113:1-4 (2004)
16. • Journal article

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    Structural, electronic, and dynamical properties of calaverite AuTe2 under pressure

    Caracas, R. Gonze, Xavier[UCL] (2004) Physical review. B, Condensed matter and materials physics — Vol. 69, no. 14, p. 144114:1-7 (2004)
17. • Journal article

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    First-principle studies of the lattice dynamics of crystals, and related properties

    Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] Caracas, R. (2005) Zeitschrift fuer Kristallographie : international journal for structural, physical, and chemical aspects of crystalline materials — Vol. 220, no. 5-6, p. 458-472 (2005)
18. • Journal article

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    Atomic structure of the Te/Si(100)-(2x1) surface

    Wiame, F. Dumont, J. Sporken, Robert[FUNDP] Verstraete, Matthieu J.[UCL] Gonze, Xavier[UCL] (2005) Physical review. B, Condensed matter and materials physics — Vol. 72, no. 3 (2005)
19. • Journal article

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    Comment on "Total energy method from many-body formulation"

    Fuchs, M Burke, K Niquet, YM Gonze, Xavier[UCL] (2003) Physical Review Letters — Vol. 90, no. 18, p. 189701 (2003)
20. • Journal article

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    Band-gap energy in the random-phase approximation to density-functional theory

    Niquet, YM Gonze, Xavier[UCL] (2004) Physical review. B, Condensed matter and materials physics — Vol. 70, no. 24, p. 245115:1-12 (2004)
21. • Journal article

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    Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework

    Niquet, YM Fuchs, M Gonze, Xavier[UCL] (2003) Physical review. A, Atomic, molecular, and optical physics — Vol. 68, no. 3, p. 032507:1-13 (2003)
22. • Journal article

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    High-pressure isosymmetrical phase transition in calaverite

    Caracas, R. Gonze, Xavier[UCL] (2004) Physics and Chemistry of Minerals — Vol. 31, no. 8, p. 553-558 (2004)
23. • Journal article

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    First-principles study of the electro-optic effect in ferroelectric oxides

    Veithen, M Gonze, Xavier[UCL] Ghosez, P. (2004) Physical Review Letters — Vol. 93, no. 18, p. 187401:1-4 (2004)
24. • Journal article

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    Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory

    Veithen, M Gonze, Xavier[UCL] Ghosez, P. (2005) Physical review. B, Condensed matter and materials physics — Vol. 71, no. 12, p. 125107:1-14 (2005)
25. • Journal article

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    First-principles calculation of the electronic, dielectric, and dynamical properties of CaF2

    Verstraete, Matthieu J.[UCL] Gonze, Xavier[UCL] (2003) Physical review. B, Condensed matter and materials physics — Vol. 68, no. 19, p. 195123:1-7 (2003)

Pages