Publications 


[2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010] [2009] [2008] [2007] [2006] [2005]

  2005

  =============================================================

1) Collective excitations in charged nanocrystals and in close-packed arrays of charged nanocrystals
C. Delerue, G. Allan, YM. Niquet,
PHYSICAL REVIEW B 72, 195316 (2005).

2) Hindered electronic transport in two-dimensional metallic ErSi2 nanoscale islands on Si(111): An STM study
I. Brihuega, E. Dupont-Ferrier, P. Mallet, L. Magaud, S. Pons, JM. Gomez-Rodriguez, JY. Veuillen,
PHYSICAL REVIEW B 72, 205309 (2005).

3) Phase diagram of complex fluids using an efficient integral equation method - art. no. 204901
I. Charpentier, N. Jakse,
JOURNAL OF CHEMICAL PHYSICS 123, 204910 (2005).

4) Bound states at impurities in a two-dimensional metal
E. Dupont-Ferrier, P. Mallet, L. Magaud, JY. Veuillen,
EUROPHYSICS LETTERS 72, 430-436 (2005).

5) Many-body perturbation theory combined with time dependent DFT: A new method for the calculation of the dielectric function of solids
R. Del Sole, O. Pulci, V. Olevano, A. Marini,
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 242, 2729-2736 (2005).

6) The magnetic moment reduction of fullerene encapsulated gadolinium. A combined effect of spin-orbit interaction and anisotropic hybridisation - Gd moment reduction in fullerene
A. Mirone,
EUROPEAN PHYSICAL JOURNAL B 47, 509-515 (2005).

7) Reply to the Comment by S. Hilbert and W. Nolting on "Calculating the Curie temperature reliably in diluted III-V ferromagnetic semiconductors"
G. Bouzerar, T. Ziman, J. Kudrnovsky,
EUROPHYSICS LETTERS 72, 324-325 (2005).

8) Excitons in germanium nanowires: Quantum confinement, orientation, and anisotropy effects within a first-principles approach
M. Bruno, M. Palummo, A. Marini, R. Del Sole, V. Olevano, AN. Kholod, S. Ossicini,
PHYSICAL REVIEW B 72, 153310 (2005).

9) On the magnetocaloric effect in d-metal pnictides
D. Fruchart, F. Allab, M. Balli, D. Gignoux, EK. Hlil, A. Koumina, N. Skryabina, J. Tobola, P. Wolfers, R. Zach,
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 358, 123-135 (2005).

10) Structure and magnetic properties of Mn4N thin films synthesized by plasma-based ion implantation
D. Vempaire, D. Fruchart, R. Gouttebarron, EK. Hlil, S. Miraglia, L. Ortega, J. Pelletier,
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 358, 136-141 (2005).

11) Conductance and coherence lengths in disordered carbon nanotubes: Role of lattice defects and phonon vibrations
S. Roche, J. Jiang, F. Triozon, R. Saito,
PHYSICAL REVIEW B 72, 113410 (2005).

12) Compensation, interstitial defects, and ferromagnetism in diluted ferromagnetic semiconductors
G. Bouzerar, T. Ziman, J. Kudrnovsky,
PHYSICAL REVIEW B 72, 125207 (2005).

13) Efficient linear scaling method for computing the Landauer-Buttiker conductance
F. Triozon, S. Roche,
EUROPEAN PHYSICAL JOURNAL B 46, 427-431 (2005).

14) Nanometer-scale mechanical properties probed by two-dimensional dynamic force spectroscopy with rigid cantilever
M. Brun, S. Decossas, F. Triozon, R. Rannou, B. Grevin,
APPLIED PHYSICS LETTERS 87, 133101 (2005).

15) Anomalous magnetotransport in chemically doped carbon nanotubes
S. Latil, F. Triozon, S. Roche,
PHYSICAL REVIEW LETTERS 95, 126802 (2005).

16) Chemical and icosahedral short-range orders in liquid and undercooled Al80Mn20 and Al80Ni20 alloys: A first-principles-based approach
N. Jakse, O. Le Bacq, A. Pasturel,
JOURNAL OF CHEMICAL PHYSICS 123, 104508 (2005).

17) Quantum dephasing in carbon nanotubes due to electron-phonon coupling
S. Roche, J. Jiang, F. Triozon, R. Saito,
PHYSICAL REVIEW LETTERS 95, 076803 (2005).

18) Vacancy formation in delta-plutonium: A density-functional study in the generalized gradient approximation
G. Robert, A. Pasturel, B. Siberchicot,
EUROPHYSICS LETTERS 71, 412-417 (2005).

19) Epidemiology of genital herpes simplex virus infections in a community-based sample in France: Results of the HERPIMAX study
D. Malvy, B. Halioua, F. Lancon, A. Rezvani, S. Bertrais, B. Chanzy, M. Daniloski, K. Ezzedine, JE. Malkin, P. Morand, C. De Labareyre, S. Hercberg, A. El Hasnaoui,
SEXUALLY TRANSMITTED DISEASES 32, 499-505 (2005).

20) Ab initio study of the structural stability of TiSi2 compounds
C. Colinet, W. Wolf, R. Podloucky, A. Pasturel,
APPLIED PHYSICS LETTERS 87, 041910 (2005).

21) Assessment of density functionals for the high-spin/low-spin energy difference in the low-spin iron(II) tris(2,2 '-bipyridine) complex
LML. Daku, A. Vargas, A. Hauser, A. Fouqueau, ME. Casida,
CHEMPHYSCHEM 6, 1393-1410 (2005).

22) Electronic structure of complex Hume-Rothery phases and quasicrystals in transition metal aluminides
GT. de Laissardiere, D. Nguyen-Manh, D. Mayou,
PROGRESS IN MATERIALS SCIENCE 50, 679-788 (2005).

23) TEM observations on the behavior of facet junctions in interfaces and inclusions
U. Dahmen, E. Johnson, JM. Penisson, T. Radetic, F. Lancon,
ZEITSCHRIFT FUR METALLKUNDE 96, 413-418 (2005).

24) Comparison of density functionals for differences between the high-(T-5(2g)) and low-((1)A(1g)) spin states of iron(II) compounds. IV. Results for the ferrous complexes [Fe(L)('NHS4')]
G. Ganzenmuller, N. Berkaine, A. Fouqueau, ME. Casida, M. Reiher,
JOURNAL OF CHEMICAL PHYSICS 122, 234321 (2005).

25) First-principles study of LiMPO4 compounds (M=Mn, Fe, Co, Ni) as electrode material for lithium batteries
O. Le Bacq, A. Pasturel,
PHILOSOPHICAL MAGAZINE 85, 1747-1754 (2005).

26) Electronic structure of the Ti1-xScxNiSn and Zr1-xScxNiSn solid solutions
L. Romaka, Y. Stadnyk, A. Horyn, MG. Shelyapina, VS. Kasperovich, D. Fruchart, EK. Hlil, P. Wolfers,
JOURNAL OF ALLOYS AND COMPOUNDS 396, 64-68 (2005).

27) Contact-dependent effects and tunneling currents in DNA molecules
E. Macia, F. Triozon, S. Roche,
PHYSICAL REVIEW B 71, 113106 (2005).

28) Superconductivity in the (Ba1-xSrx)(8)Si-46 clathrates (x <= 0.75): Experimental and ab initio investigation
P. Toulemonde, C. Adessi, X. Blase, A. San Miguel, JL. Tholence,
PHYSICAL REVIEW B 71, 094504 (2005).

29) A comparative study of radon retention ability of crystalline apatite and amorphous oxide materials
FZ. Boujrhal, EK. Hlil, RC. El Moursli, T. El Khoukhi, B. Sghir,
CROSS-DISCIPLINARY APPLIED RESEARCH IN MATERIALS SCIENCE AND TECHNOLOGY 480, 169-174 (2005).

30) Confinement of Bloch waves in YSi2 nanostructures on Si(111)
L. Magaud, G. Reinisch, A. Pasturel, P. Mallet, E. Dupont-Ferrier, JY. Veuillen,
EUROPHYSICS LETTERS 69, 784-790 (2005).

31) Calculating the Curie temperature reliably in diluted III-V ferromagnetic semiconductors
G. Bouzerar, T. Ziman, J. Kudrnovsky,
EUROPHYSICS LETTERS 69, 812-818 (2005).

32) Describing static correlation in bond dissociation by Kohn-Sham density functional theory
M. Fuchs, YM. Niquet, X. Gonze, K. Burke,
JOURNAL OF CHEMICAL PHYSICS 122, 094116 (2005).

33) Electronic transport properties of carbon nanotube based metal/semiconductor/metal intramolecular junctions
F. Triozon, P. Lambin, S. Roche,
NANOTECHNOLOGY 16, 230-233 (2005).

34) Gate-dependent magnetoresistance phenomena in carbon nanotubes
G. Fedorov, B. Lassagne, M. Sagnes, B. Raquet, JM. Broto, F. Triozon, S. Roche, E. Flahaut,
PHYSICAL REVIEW LETTERS 94, 066801 (2005).

35) First-principles determination of exchange interactions in delafossite YCuO2.5
O. Le Bacq, A. Pasturel, C. Lacroix, MD. Nunez-Regueiro,
PHYSICAL REVIEW B 71, 014432 (2005).

36) Comparison of density functionals for energy and structural differences between the high- [T-5(2g):(t(2g))(4)(e(g))(2)] and low- [(1)A(1g):(t(2g))(6)(e(g))(0)] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)(6)](2+)
A. Fouqueau, ME. Casida, LML. Daku, A. Hauser, F. Neese,
JOURNAL OF CHEMICAL PHYSICS 122, 044110 (2005).

37) Propagator corrections to adiabatic time-dependent density-functional theory linear response theory
ME. Casida,
JOURNAL OF CHEMICAL PHYSICS 122, 054111 (2005).

38) Mechanical properties of graphite oxides: Ab initio simulations and continuum theory
A. Incze, A. Pasturel, P. Peyla,
PHYSICAL REVIEW B 70, 212103 (2004).

39) Band-gap energy in the random-phase approximation to density-functional theory
YM. Niquet, X. Gonze,
PHYSICAL REVIEW B 70, 245115 (2004).

40) Exchange interactions and critical temperatures in diluted magnetic semiconductors
J. Kudrnovsky, V. Drchal, I. Turek, L. Bergqvist, O. Eriksson, G. Bouzerar, L. Sandratskii, P. Bruno,
JOURNAL OF PHYSICS-CONDENSED MATTER 16, S5571-S5578 (2004).

41) Detection of subnanometric layer at the Si/SiO2 interface and related strain measurements
P. Donnadieu, E. Blanquet, N. Jakse, P. Mur,
APPLIED PHYSICS LETTERS 85, 5574-5576 (2004).

42) Prediction of the local structure of liquid and supercooled tantalum
N. Jakse, O. Le Bacq, A. Pasturel,
PHYSICAL REVIEW B 70, 174203 (2004).