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Journal article

First-principles prediction of lattice coherency in van der Waals heterostructures

Benoit Van Troeye Lherbier, Aurélien[UCL] Dubois, Simon M-M[UCL] Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] (2020) arXiv — (2020)

Journal article

Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures

Van Troeye, Benoît[UCL] Lherbier, Aurélien[UCL] Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] (2018) Physical Review Materials — Vol. 2, no.7, p. 074001 (2018)

Journal article

First-principles molecular-dynamics study of the (0001) alpha-quartz surface

Rignanese, Gian-Marco[UCL] De Vita, A Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Car, R (2000) Physical Review B — Vol. 61, no. 19, p. 13250-13255 (2000)

Journal article

First-principles study of vibrational and dielectric properties of C3N4 polymorphs

Rignanese, Gian-Marco[UCL] Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] (2002) Physical Review B — Vol. 66, no. 20, p. 205416 (2002)

Journal article

First-principles study of the stacking effect on the electronic properties of graphite(s)

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1994) Carbon — Vol. 32, p. 289-299 (1994)

Journal article

Graphite interplanar bonding : electronic delocalization and van der Waals interaction

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1994) Europhysics Letters : a letters journal exploring the frontiers of physics — Vol. 28, p. 403-408 (1994)

Journal article

First-principles study of graphite monofluoride (CF)n

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1993) Physical Review. B, Condensed Matter — Vol. 47, p. 16162-16168 (1993)

Journal article

Tight-binding model for the electronic properties of simple hexagonal graphite

Charlier, Jean-Christophe[UCL] Michenaud, Jean-Pierre[UCL] Gonze, Xavier[UCL] Vigneron, Jean-Pol[FUNDP] (1991) Physical review. B, Condensed matter and materials physics — Vol. 44, no. 24, p. 13237-13249 (1991)

Journal article

Ab initio structure of graphite monofluoride (CF)n

Charlier, Jean-Christophe[UCL] Michenaud, Jean-Pierre[UCL] Gonze, Xavier[UCL] (1994) Molecular Crystals and Liquid Crystals — Vol. 245, p. 135-140 (1994)

Journal article

First-principles study of the electronic properties of simple hexagonal graphite

Charlier, Jean-Christophe[UCL] Michenaud, Jean-Pierre[UCL] Gonze, Xavier[UCL] (1992) Physical Review. B, Condensed Matter — Vol. 46, no. 8, p. 4531-4539 (1992)

Journal article

Interatomic force constants from first-principles: the case of alpha-quartz

Gonze, Xavier[UCL] Charlier, Jean-Christophe[UCL] Allan, D.C. Teter, M.P. (1994) Physical Review. B, Condensed Matter — Vol. 50, p. R13035-R13038 (1994)

Journal article

First-principles study of the electronic properties of graphite

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1991) Physical Review. B, Condensed Matter — Vol. 43, no. 6, p. 4579-4589 (1991)

Journal article

First-principles molecular-dynamics investigation of the hydration mechanisms of the (0001) alpha-quartz surface

Rignanese, Gian-Marco[UCL] Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] (2004) Physical Chemistry Chemical Physics — Vol. 6, no. 8, p. 1920-1925 (2004)

Journal article

Nitrogen incorporation at Si(001)-SiO2 interfaces: Relation between N 1s core-level shifts and microscopic structure

Rignanese, Gian-Marco[UCL] Pasquarello, A Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Car, R (1997) Physical Review Letters — Vol. 79, no. 25, p. 5174-5177 (1997)

Speech

Improvements of STM calculations and kinetic energy density implementation in ABINIT.

Lherbier, Aurélien[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] Charlier, Jean-Christophe[UCL] (2009) GdR DFT — Autrans, France

Journal article

First-principles Study of Carbon Nanotube Solid-state Packings

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1995) Europhysics Letters : a letters journal exploring the frontiers of physics — Vol. 29, no. 1, p. 43-48 (1995)

Journal article

Graphite Interplanar Bonding - Electronic Delocalization and Van-der-waals Interaction

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1994) Europhysics Letters : a letters journal exploring the frontiers of physics — Vol. 28, no. 6, p. 403-408 (1994)

Speech

Ab-initio Structure of Graphite Monofluoride (cf)(n)

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Michenaud, Jean-Pierre[UCL] (1994) 7th International Symposium on Intercalation Compounds — LOUVAIN-LA-NEUVE(Belgium)

Journal article

Scaling Hypothesis for Corrections To Total-energy and Stress in Plane-wave-based Ab-initio Calculations

Rignanese, Gian-Marco[UCL] Ghosez, P. Charlier, Jean-Christophe[UCL] Michenaud, Jean-Pierre[UCL] Gonze, Xavier[UCL] (1995) Physical Review. B, Condensed Matter — Vol. 52, no. 11, p. 8160-8178 (1995)

Journal article

Lithiation properties of sp2 carbon allotropes

Lherbier, Aurélien[UCL] Vander Marcken, Gil[UCL] Van Troeye, Benoît[UCL] Botello-Méndez, Andrés Rafael Adjizian, Jean Joseph[UCL] Hautier, Geoffroy[UCL] Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] Charlier, Jean-Christophe[UCL] (2018) Physical Review Materials — Vol. 2, no.8, p. 085408 (2018)

Speech

First-principles Study of Resonant Raman Scattering Including Exciton-Phonon Interaction

Gillet, Yannick[UCL] Giantomassi, Matteo[UCL] Botello Mendez, Andrés Rafael[UCL] Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] (2016) PhD Students Day 2016 — Louvain-la-Neuve

Journal article

Atypical Exciton-Phonon Interactions in WS2 and WSe2 Monolayers Revealed by Resonance Raman Spectroscopy

del Corro, Elena Botello Mendez, Andrés Rafael[UCL] Gillet, Yannick[UCL] Elias, Ana Laura Terrones, Humberto Feng, Simin Fantini, Cristiano Rhodes, Daniel Pradhan, Narayan Balicas, Luis Gonze, Xavier[UCL] Charlier, Jean-Christophe[UCL] Terrones, Mauricio Pimenta, Marcos A. (2016) Nano Letters : a journal dedicated to nanoscience and nanotechnology — Vol. 16, no.4, p. 2363-2368 (2016)

Journal article

Des Molécules aux Matériaux

Charlier, Jean-Christophe[UCL] Gonze, Xavier[UCL] Peeters, D. (1998) Louvain — , no.91, p. 22-25 (1998)

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