Patrick Hermet
Patrick Hermet
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ABINIT: First-principles approach to material and nanosystem properties
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
Improper ferroelectricity in perovskite oxide artificial superlattices
E Bousquet, M Dawber, N Stucki, C Lichtensteiger, P Hermet, S Gariglio, ...
Nature 452 (7188), 732-736, 2008
Raman and infrared spectra of multiferroic bismuth ferrite from first principles
P Hermet, M Goffinet, J Kreisel, P Ghosez
Physical Review B 75 (22), 220102, 2007
Titanium oxynitride thin films sputter deposited by the reactive gas pulsing process
JM Chappé, N Martin, J Lintymer, F Sthal, G Terwagne, J Takadoum
Applied Surface Science 253 (12), 5312-5316, 2007
Scanning tunneling microscopy simulations of nitrogen-and boron-doped graphene and single-walled carbon nanotubes
B Zheng, P Hermet, L Henrard
ACS nano 4 (7), 4165-4173, 2010
New insight into the vibrational behavior of nickel hydroxide and oxyhydroxide using inelastic neutron scattering, far/mid-infrared and Raman spectroscopies
JL Bantignies, S Deabate, A Righi, S Rols, P Hermet, JL Sauvajol, F Henn
The Journal of Physical Chemistry C 112 (6), 2193-2201, 2008
Dielectric, magnetic, and phonon properties of nickel hydroxide
P Hermet, L Gourrier, JL Bantignies, D Ravot, T Michel, S Deabate, ...
Physical Review B 84 (23), 235211, 2011
Theoretical study of the vibrational edge modes in graphene nanoribbons
M Vandescuren, P Hermet, V Meunier, L Henrard, P Lambin
Physical Review B 78 (19), 195401, 2008
First-principles model potentials for lattice-dynamical studies: General methodology and example of application to ferroic perovskite oxides
JC Wojde³, P Hermet, MP Ljungberg, P Ghosez, J Iniguez
Journal of Physics: Condensed Matter 25 (30), 305401, 2013
First-principles calculations of the nonlinear optical susceptibilities and Raman scattering spectra of lithium niobate
P Hermet, M Veithen, P Ghosez
Journal of Physics: Condensed Matter 19 (45), 456202, 2007
Hybrid functional study of prototypical multiferroic bismuth ferrite
M Goffinet, P Hermet, DI Bilc, P Ghosez
Physical Review B 79 (1), 014403, 2009
Raman scattering intensities in BaTiO3 and PbTiO3 prototypical ferroelectrics from density functional theory
P Hermet, M Veithen, P Ghosez
Journal of Physics: Condensed Matter 21 (21), 215901, 2009
Charge transfer evidence between carbon nanotubes and encapsulated conjugated oligomers
L Alvarez, Y Almadori, R Arenal, R Babaa, T Michel, R Le Parc, ...
The Journal of Physical Chemistry C 115 (24), 11898-11905, 2011
Infrared spectroscopy of single-walled carbon nanotubes
K Sbai, A Rahmani, H Chadli, JL Bantignies, P Hermet, JL Sauvajol
The Journal of Physical Chemistry B 110 (25), 12388-12393, 2006
B and N codoping effect on electronic transport in carbon nanotubes
H Khalfoun, P Hermet, L Henrard, S Latil
Physical Review B 81 (19), 193411, 2010
Chromophore ordering by confinement into carbon nanotubes
Y Almadori, L Alvarez, R Le Parc, R Aznar, F Fossard, A Loiseau, ...
The Journal of Physical Chemistry C 118 (33), 19462-19468, 2014
Insights into the Self-Directed Structuring of Hybrid Organic− Inorganic Silicas through Infrared Studies
JL Bantignies, L Vellutini, D Maurin, P Hermet, P Dieudonné, ...
The Journal of Physical Chemistry B 110 (32), 15797-15802, 2006
Polymorphism of crystalline α-quaterthiophene and α-sexithiophene: ab initio analysis and comparison with inelastic neutron scattering response
P Hermet, JL Bantignies, A Rahmani, JL Sauvajol, MR Johnson
The Journal of Physical Chemistry A 109 (18), 4202-4207, 2005
A first-principles investigation of the thermodynamic and mechanical properties of Ni–Ti–Sn Heusler and half-Heusler materials
P Hermet, K Niedziolka, P Jund
RSC Advances 3 (44), 22176-22184, 2013
Far-and Mid-Infrared of Crystalline 2, 2 ‘-Bithiophene: Ab Initio Analysis and Comparison with Infrared Response
P Hermet, JL Bantignies, A Rahmani, JL Sauvajol, MR Johnson, F Serein
The Journal of Physical Chemistry A 109 (8), 1684-1691, 2005
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