Publications 


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  2007

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1) Spin-sensitive and angular dependent detection of resonant excitations at the K absorption pre-edge of alpha-Fe2O3
P. Glatzel, A. Mirone, SG. Eeckhout, M. Sikora, G. Giuli,
X-Ray Absorption Fine Structure-XAFS13 882, 861-863 (2007).

2) Liquid-liquid phase transformation in silicon: Evidence from first-principles molecular dynamics simulations
N. Jakse, A. Pasturel,
PHYSICAL REVIEW LETTERS 99, 205702 (2007).

3) Epidemiology of orofacial herpes simplex virus infections in the general population in France: results of the HERPIMAX study
D. Malvy, K. Ezzedine, F. Lancon, B. Halioua, A. Rezvani, S. Bertrais, B. Chanzy, JE. Malkin, P. Morand, C. De Labareyre, S. Hercberg, A. El Hasnaoui,
JOURNAL OF THE EUROPEAN ACADEMY OF DERMATOLOGY AND VENEREOLOGY 21, 1398-1403 (2007).

4) Multilayer coatings for x-ray mirrors: extraction of stack parameters from x-ray reflectivity scans and comparison with transmission electron microscopy results
D. Spiga, G. Pareschi, V. Cotroneo, R. Canestrari, D. Vernani, A. Mirone, C. Ferrero, C. Ferrari, L. Lazzarini,
OPTICAL ENGINEERING 46, 086501 (2007).

5) Molecular dynamics and integral equation study and thermodynamics of polyvalent liquid metals
EB. El Mendoub, R. Albaki, I. Charpentier, JL. Bretonnet, JF. Wax, N. Jakse,
JOURNAL OF NON-CRYSTALLINE SOLIDS 353, 3475-3479 (2007).

6) Concentration fluctuations in liquid alloys of alkali metals
JF. Wax, N. Jakse,
JOURNAL OF NON-CRYSTALLINE SOLIDS 353, 3535-3539 (2007).

7) Short-range order of liquid and undercooled metals: Ab initio molecular dynamics study
N. Jakse, O. Le Bacq, A. Pasturel,
JOURNAL OF NON-CRYSTALLINE SOLIDS 353, 3684-3688 (2007).

8) Thermodynamic, alloying and defect properties of plutonium: Density-functional calculations
G. Robert, A. Pasturel, B. Siberchicot,
JOURNAL OF ALLOYS AND COMPOUNDS 444, 191-196 (2007).

9) Condensate superfluidity and infrared structure of the single-particle Green's function: The Josephson relation
M. Holzmann, G. Baym,
PHYSICAL REVIEW B 76, 092502 (2007).

10) Electronic structure of epitaxial graphene layers on SiC: Effect of the substrate
F. Varchon, R. Feng, J. Hass, X. Li, BN. Nguyen, C. Naud, P. Mallet, JY. Veuillen, C. Berger, EH. Conrad, L. Magaud,
PHYSICAL REVIEW LETTERS 99, 126805 (2007).

11) Strain and shape of epitaxial InAs/InP nanowire superlattice measured by grazing incidence X-ray techniques
J. Eymery, F. Rieutord, V. Favre-Nicolin, O. Robach, YM. Niquet, L. Froberg, T. Martensson, L. Samuelson,
NANO LETTERS 7, 2596-2601 (2007).

12) Towards multiscale modeling of Si nanocrystals LPCVD deposition on SiO2: From A initio calculations to reactor scale simulations
I. Zahi, H. Vergnes, B. Caussat, A. Esteve, MD. Rouhani, P. Mur, P. Blaise, E. Scheid,
SURFACE & COATINGS TECHNOLOGY 201, 8854-8858 (2007).

13) Non-perturbative V-J(pd) model and ferromagnetism in dilute magnets
R. Bouzerar, G. Bouzerar, T. Ziman,
EPL 78, 67003 (2007).

14) Relation of Curie temperature and conductivity: (Ga,Mn)As alloy as a case study
J. Kudrnovsky, G. Bouzerar, I. Turek,
APPLIED PHYSICS LETTERS 91, 102509 (2007).

15) Magnetic spin excitations in diluted ferromagnetic systems: The case of Ga1-xMnxAs
G. Bouzerar,
EPL 79, 57007 (2007).

16) Transforming nonlocality into a frequency dependence: A shortcut to spectroscopy
M. Gatti, V. Olevano, L. Reining, IV. Tokatly,
PHYSICAL REVIEW LETTERS 99, 057401 (2007).

17) Effect of correlated disorder on the magnetism of double exchange systems
G. Bouzerar, O. Cepas,
PHYSICAL REVIEW B 76, 020401 (2007).

18) Modeling the structural, dynamical, and magnetic properties of liquid Al1-xMnx (x=0.14, 0.2, and 0.4): A first-principles investigation
N. Jakse, A. Pasturel,
PHYSICAL REVIEW B 76, 024207 (2007).

19) Electron states of mono- and bilayer graphene on SiC probed by scanning-tunneling microscopy
P. Mallet, F. Varchon, C. Naud, L. Magaud, C. Berger, JY. Veuillen,
PHYSICAL REVIEW B 76, 041403 (2007).

20) Efficient and accurate three-dimensional Poisson solver for surface problems
L. Genovese, T. Deutsch, S. Goedecker,
JOURNAL OF CHEMICAL PHYSICS 127, 054704 (2007).

21) Magnetic phase diagrams of R-3(Co : Ni)(13)B-2, R=Y and Nd intermetallic compounds
J. Bartolome, N. Plugaru, J. Campo, J. Rubin, EK. Hlil, C. Rillo, A. Arauzo,
JOURNAL OF ALLOYS AND COMPOUNDS 442, 11-16 (2007).

22) Hydrogen-induced structural transformation in TiV0.8Cr1.2 studied by in situ neutron diffraction
S. Miraglia, D. Fruchart, N. Skryabina, M. Shelyapina, B. Ouladiaf, EK. Hlil, P. de Rango, J. Charbonnier,
JOURNAL OF ALLOYS AND COMPOUNDS 442, 49-54 (2007).

23) Gd1-xTbx alloys for Ericsson-like magnetic refrigeration cycles
M. Balli, D. Fruchart, D. Gignoux, EK. Hlil, S. Miraglia, P. Wolfers,
JOURNAL OF ALLOYS AND COMPOUNDS 442, 129-131 (2007).

24) Large magnetic entropy change at room temperature in La0.7Ca0.3-xKxMnO3
M. Bejar, R. Dhahri, E. Dhahri, M. Balli, EK. Hlil,
JOURNAL OF ALLOYS AND COMPOUNDS 442, 136-138 (2007).

25) Y3Fe5O12 yttrium iron garnet and lost magnetic moment (computing of spin density)
A. Bouguerra, G. Fillion, EK. Hlil, P. Wolfers,
JOURNAL OF ALLOYS AND COMPOUNDS 442, 231-234 (2007).

26) Influence of A-site cation size-disorder on structural, magnetic and magnetocaloric properties of La0.7Ca0.3-xKMnO3 compounds
M. Bejar, E. Dhahri, EK. Hlil, S. Heniti,
JOURNAL OF ALLOYS AND COMPOUNDS 440, 36-42 (2007).

27) X-ray resonant magnetic scattering: polarization dependence in the non-spherical case
A. Mirone, L. Bouchenoire, S. Brown,
ACTA CRYSTALLOGRAPHICA SECTION A 63, 348-353 (2007).

28) Transport properties of liquid nickel near the melting point: An ab initio molecular dynamics study
N. Jakse, JF. Wax, A. Pasturel,
JOURNAL OF CHEMICAL PHYSICS 126, 234508 (2007).

29) Structural stability in the Al-Li-Si system
A. Pisch, N. Jakse, A. Pasturel, JP. Harvey, P. Chartrand,
APPLIED PHYSICS LETTERS 90, 251902 (2007).

30) Heat capacity measurements of itinerant electron magnetism in Y3Ni13-xCOxB2 system
C. Rillo, A. Arauzo, N. Plugaru, EK. Hlil, J. Rubin, J. Bartolome,
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 316, 166-169 (2007).

31) Magnetocaloric effect in ternary metal phosphides (Fe1-xNix)(2)P
M. Balli, D. Fruchart, D. Gignoux, J. Tobola, EK. Hlil, P. Wolfers, R. Zach,
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 316, 358-360 (2007).

32) Modelling of the magnetocaloric effect in Gd1-xTbx and MnAs compounds
M. Balli, D. Fruchart, D. Gignoux, S. Miraglia, EK. Hlil, P. Wolfers,
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 316, E558-E561 (2007).

33) Effects of substituting divalent by monovalent ion on the physical properties of La0.7Ca0.3-xKxMnO3 compounds
M. Bejar, H. Feki, E. Dhahri, M. Ellouze, M. Balli, EK. Hlil,
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 316, E707-E709 (2007).

34) STM investigation of the charge transport mechanisms to nanoscale metallic islands on a semiconductor substrate
E. Dupont-Ferrier, P. Mallet, L. Magaud, JY. Veuillen,
PHYSICAL REVIEW B 75, 205315 (2007).

35) Correlation effects and energetics of point defects in uranium dioxide: a first principle investigation
F. Gupta, G. Brillant, A. Pasturel,
PHILOSOPHICAL MAGAZINE 87, 2561-2569 (2007).

36) Ordering effects in diluted magnetic semiconductors
J. Kudrnovsky, V. Drchal, G. Bouzerar, R. Bouzerar,
PHASE TRANSITIONS 80, 333-350 (2007).

37) Local order and phase selection in undercooled transition metal based systems: ab initio molecular dynamics study
N. Jakse, A. Pasturel,
PHASE TRANSITIONS 80, 369-384 (2007).

38) Electronic and transport properties of nanotubes
JC. Charlier, X. Blase, S. Roche,
REVIEWS OF MODERN PHYSICS 79, 677-732 (2007).

39) Electronic properties of InAs/GaAs nanowire superlattices
YM. Niquet,
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 37, 204-207 (2007).

40) Valence bond state in the delafossite YCuO2.5
S. Capponi, C. Lacroix, O. Le Bacq, A. Pasturel, MD. Nunez-Regueiro,
JOURNAL OF PHYSICS-CONDENSED MATTER 19, 145233 (2007).

41) Effects of a shell on the electronic properties of nanowire superlattices
YM. Niquet,
NANO LETTERS 7, 1105-1109 (2007).

42) Germanium diffusion mechanisms in silicon from first principles
D. Caliste, P. Pochet, T. Deutsch, F. Lancon,
PHYSICAL REVIEW B 75, 125203 (2007).

43) Pinning of magnetic domain walls to structural defects in thin layers within a Heisenberg-type model
T. Jourdan, F. Lancon, A. Marty,
PHYSICAL REVIEW B 75, 094422 (2007).

44) Competition between magnetic field dependent band structure and coherent backscattering in multiwall carbon nanotubes
B. Stojetz, S. Roche, C. Miko, F. Triozon, L. Forro, C. Strunk,
NEW JOURNAL OF PHYSICS 9, 56 (2007).

45) Preparation and characterization of phosphate glasses containing titanium and vanadium
S. Kaoua, S. Krimi, A. El Jazouli, EK. Hlil, D. de Waal,
JOURNAL OF ALLOYS AND COMPOUNDS 429, 276-279 (2007).

46) Ab initio GW electron-electron interaction effects in quantum transport
P. Darancet, A. Ferretti, D. Mayou, V. Olevano,
PHYSICAL REVIEW B 75, 075102 (2007).

47) Quantum communication with quantum dot spins
C. Simon, YM. Niquet, X. Caillet, J. Eymery, JP. Poizat, JM. Gerard,
PHYSICAL REVIEW B 75, 081302 (2007).

48) Excitons in silicon nanocrystallites: The nature of luminescence
E. Luppi, F. Iori, R. Magri, O. Pulci, S. Ossicini, E. Degoli, V. Olevano,
PHYSICAL REVIEW B 75, 033303 (2007).

49) Ionization energy of donor and acceptor impurities in semiconductor nanowires: Importance of dielectric confinement
M. Diarra, YM. Niquet, C. Delerue, G. Allan,
PHYSICAL REVIEW B 75, 045301 (2007).

50) Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same?
S. Zein, SA. Borshch, P. Fleurat-Lessard, ME. Casida, H. Chermette,
JOURNAL OF CHEMICAL PHYSICS 126, 014105 (2007).

51) Electron transport via local polarons at interface atoms
M. Berthe, A. Urbieta, L. Perdigao, B. Grandidier, D. Deresmes, C. Delerue, D. Stievenard, R. Rurali, N. Lorente, L. Magaud, P. Ordejon,
PHYSICAL REVIEW LETTERS 97, 206801 (2006).

52) Signatures of short-range many-body effects in the dielectric function of silicon for finite momentum transfer
HC. Weissker, J. Serrano, S. Huotari, F. Bruneval, F. Sottile, G. Monaco, M. Krisch, V. Olevano, L. Reining,
PHYSICAL REVIEW LETTERS 97, 237602 (2006).