Publications 


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  2009

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1) The effect of core-valence intra-atomic quadrupolar interaction in resonant x-ray scattering at the Dy M-4,M-5 edges in DyB2C2
J. Fernandez-Rodriguez, A. Mirone, U. Staub,
JOURNAL OF PHYSICS-CONDENSED MATTER 22, 016001 (2010).

2) Electronic structure of acceptor defects in (Zn,Mn)O and (Zn,Mn)(O,N)
O. Mounkachi, A. Benyoussef, A. El Kenz, EH. Saidi, EK. Hlil,
JOURNAL OF APPLIED PHYSICS 106, 093905 (2009).

3) E1 and E2 contributions to the L-3 resonance line shape in antiferromagnetic holmium
L. Bouchenoire, A. Mirone, SD. Brown, P. Strange, T. Wood, P. Thompson, D. Fort, J. Fernandez-Rodriguez,
NEW JOURNAL OF PHYSICS 11, 123011 (2009).

4) From Atomistic to Device Level Investigation of Hybrid Redox Molecular/Silicon Field-Effect Memory Devices
J. Buckley, T. Pro, R. Barattin, A. Calborean, K. Huang, V. Aiello, G. Nicotra, M. Gely, G. Delapierre, E. Jalaguier, F. Duclairoir, N. Chevalier, D. Mariolle, C. Spinella, S. Lombardo, P. Blaise, P. Maldivi, G. Ghibaudo, R. Baptist, B. De Salvo,
2009 IEEE INTERNATIONAL MEMORY WORKSHOP , 17-20 (2009).

5) Time-dependent density-functional theory for molecules and molecular solids Preface
ME. Casida, H. Chermette, D. Jacquemin,
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 914, 1-2 (2009).

6) Time-dependent density-functional theory for molecules and molecular solids
ME. Casida,
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 914, 3-18 (2009).

7) Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states
A. Ipatov, F. Cordova, LJ. Doriol, ME. Casida,
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 914, 60-73 (2009).

8) An X-ray diffraction, magnetic susceptibility and spectroscopic study of Yb2-xNixO3
L. Ben Farhat, M. Amami, EK. Hlil, R. Ben Hassen,
JOURNAL OF ALLOYS AND COMPOUNDS 485, 701-705 (2009).

9) Nonmagnetic thin layers of Ni3N
D. Vempaire, F. Fettar, L. Ortega, F. Pierre, S. Miraglia, A. Sulpice, J. Pelletier, EK. Hlil, D. Fruchart,
JOURNAL OF APPLIED PHYSICS 106, 073911 (2009).

10) Magnetic bubbles in FePd thin films near saturation
T. Jourdan, A. Masseboeuf, F. Lancon, P. Bayle-Guillemaud, A. Marty,
JOURNAL OF APPLIED PHYSICS 106, 073913 (2009).

11) Adsorption of small NaCl clusters on surfaces of silicon nanostructures
M. Amsler, SA. Ghasemi, S. Goedecker, A. Neelov, L. Genovese,
NANOTECHNOLOGY 20, 445301 (2009).

12) Electrically active defects in boron doped diamond homoepitaxial layers studied from deep level transient spectroscopies and other techniques
P. Muret, A. Kumar, PN. Volpe, M. Wade, J. Pernot, L. Magaud, C. Mer, P. Bergonzo,
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 206, 2016-2021 (2009).

13) Thermodynamic and ab initio investigation of the Cu-Dy system
M. Palumbo, L. Battezzati, A. Pasturel, S. Gottlieb-Schonmeyer, W. Assmus,
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY 33, 511-516 (2009).

14) How the SiC substrate impacts graphene's atomic and electronic structure
L. Magaud, F. Hiebel, F. Varchon, P. Mallet, JY. Veuillen,
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 3, 172-174 (2009).

15) Features of the mechanisms of generation and "Healing" of structural defects in the heavily doped intermetallic semiconductor n-ZrNiSn
VA. Romaka, EK. Hlil, YV. Skolozdra, P. Rogl, YV. Stadnyk, LP. Romaka, AM. Goryn,
SEMICONDUCTORS 43, 1115-1123 (2009).

16) Orbital Order at Mn and O Sites and Absence of Zener Polaron Formation in Manganites
M. Garcia-Fernandez, U. Staub, Y. Bodenthin, V. Scagnoli, V. Pomjakushin, SW. Lovesey, A. Mirone, J. Herrero-Martin, C. Piamonteze, E. Pomjakushina,
PHYSICAL REVIEW LETTERS 103, 097205 (2009).

17) Phonon surface mapping of graphite: Disentangling quasi-degenerate phonon dispersions
A. Gruneis, J. Serrano, A. Bosak, M. Lazzeri, SL. Molodtsov, L. Wirtz, C. Attaccalite, M. Krisch, A. Rubio, F. Mauri, T. Pichler,
PHYSICAL REVIEW B 80, 085423 (2009).

18) Treatment of Metastatic Breast Cancer A Large Observational Study on Adherence to French Prescribing Guidelines and Financial Cost of the Anti-HER2 Antibody Trastummab
B. Poncet, C. Colin, T. Bachelot, I. Jaisson-Hot, L. Derain, L. Magaud, C. Fournel-Federico, M. Mousseau, JD. Tigaud, JP. Jacquin, V. Trillet-Lenoir,
AMERICAN JOURNAL OF CLINICAL ONCOLOGY-CANCER CLINICAL TRIALS 32, 369-374 (2009).

19) Charge transport in carbon nanotubes based materials: a Kubo-Greenwood computational approach
H. Ishii, F. Triozon, N. Kobayashi, K. Hirose, S. Roche,
COMPTES RENDUS PHYSIQUE 10, 283-296 (2009).

20) Multiscale simulation of carbon nanotube devices
C. Adessi, R. Avriller, X. Blase, A. Bournel, HC. d'Honincthun, P. Dollfus, S. Fregonese, S. Galdin-Retailleau, A. Lopez-Bezanilla, C. Maneux, HN. Nguyen, D. Querlioz, S. Roche, F. Triozon, T. Zimmer,
COMPTES RENDUS PHYSIQUE 10, 305-319 (2009).

21) Carbon nanotube chemistry and assembly for electronic devices
V. Derycke, S. Auvray, J. Borghetti, CL. Chung, R. Lefevre, A. Lopez-Bezanilla, K. Nguyen, G. Robert, G. Schmidt, C. Anghel, N. Chimot, S. Lyonnais, S. Streiff, S. Campidelli, P. Chenevier, A. Filoramo, MF. Goffman, L. Goux-Capes, S. Latil, X. Blase, F. Triozon, S. Roche, JP. Bourgoin,
COMPTES RENDUS PHYSIQUE 10, 330-347 (2009).

22) Chemical Functionalization Effects on Armchair Graphene Nanoribbon Transport
A. Lopez-Bezanilla, F. Triozon, S. Roche,
NANO LETTERS 9, 2537-2541 (2009).

23) Chemically Induced Mobility Gaps in Graphene Nanoribbons: A Route for Upscaling Device Performances
B. Biel, F. Triozon, X. Blase, S. Roche,
NANO LETTERS 9, 2725-2729 (2009).

24) Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures
L. Genovese, M. Ospici, T. Deutsch, JF. Mehaut, A. Neelov, S. Goedecker,
JOURNAL OF CHEMICAL PHYSICS 131, 034103 (2009).

25) Onsite matrix elements of the tight-binding Hamiltonian of a strained crystal: Application to silicon, germanium, and their alloys
YM. Niquet, D. Rideau, C. Tavernier, H. Jaouen, X. Blase,
PHYSICAL REVIEW B 79, 245201 (2009).

26) High-T-c ferromagnetism in p-type ZnO diluted magnetic semiconductors
O. Mounkachi, A. Benyoussef, A. El Kenz, EH. Saidi, EK. Hlil,
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 388, 3433-3441 (2009).

27) Structural and magnetic properties of Ni3N synthesized by multidipolar microwave plasma-assisted reactive sputtering
D. Vempaire, S. Miraglia, J. Pelletier, D. Fruchart, EK. Hlil, L. Ortega, A. Sulpice, F. Fettar,
JOURNAL OF ALLOYS AND COMPOUNDS 480, 225-229 (2009).

28) Scanning Tunneling Microscopy investigation of the graphene/6H-SiC(000(1)over-bar) (3 x 3) interface
F. Hiebel, P. Mallet, F. Varchon, L. Magaud, JY. Veuillen,
SOLID STATE COMMUNICATIONS 149, 1157-1160 (2009).

29) The structural properties of GaN insertions in GaN/AlN nanocolumn heterostructures
C. Bougerol, R. Songmuang, D. Camacho, YM. Niquet, R. Mata, A. Cros, B. Daudin,
NANOTECHNOLOGY 20, 295706 (2009).

30) Response to "Comment on 'Dynamic aspects of the liquid-liquid phase transformation in silicon' " [J. Chem. Phys. 130, 247102 (2009)]
N. Jakse, A. Pasturel, S. Sastry, CA. Angell,
JOURNAL OF CHEMICAL PHYSICS 130, 247103 (2009).

31) The spin polarization of Mn atoms in paramagnetic CuMn alloys induced by a Co layer
M. Abes, D. Atkinson, BK. Tanner, T. Charlton, S. Langridge, TPA. Hase, M. Ali, CH. Marrows, A. Neudert, RJ. Hicken, A. Mirone, D. Arena,
JOURNAL OF APPLIED PHYSICS 105, 07C703 (2009).

32) New complex magnetic materials for an application in Ericsson refrigerator
S. Othmani, R. Blel, M. Bejar, M. Sajieddine, E. Dhahri, E. Hlil,
SOLID STATE COMMUNICATIONS 149, 969-972 (2009).

33) Investigation of molybdenum and caesium behaviour in urania by ab initio calculations
G. Brillant, F. Gupta, A. Pasturel,
JOURNAL OF PHYSICS-CONDENSED MATTER 21, 285602 (2009).

34) Structural and vibrational study of C-type doped rare earth sesquioxide Yb2-xCoxO3
L. Ben Farhat, M. Amami, EK. Hlil, R. Ben Hassen,
JOURNAL OF ALLOYS AND COMPOUNDS 479, 594-598 (2009).

35) Structure electronic and ionic conductivity study versus Ca content in Ca10-xSrx(PO4)(6)F-2 apatites
B. Sghir, EK. Hlil, A. Laghzizil, FZ. Boujrhal, RC. El Moursli, D. Fruchart,
MATERIALS RESEARCH BULLETIN 44, 1592-1595 (2009).

36) Simulation of the enhanced Curie temperature in Mn5Ge3Cx compounds
I. Slipukhina, E. Arras, P. Mavropoulos, P. Pochet,
APPLIED PHYSICS LETTERS 94, 192505 (2009).

37) Liquid boron: X-ray measurements and ab initio molecular dynamics simulations
DL. Price, A. Alatas, L. Hennet, N. Jakse, S. Krishnan, A. Pasturel, I. Pozdnyakova, ML. Saboungi, A. Said, R. Scheunemann, W. Schirmacher, H. Sinn,
PHYSICAL REVIEW B 79, 134201 (2009).

38) Dynamics of liquid and undercooled silicon: An ab initio molecular dynamics study
N. Jakse, A. Pasturel,
PHYSICAL REVIEW B 79, 144206 (2009).

39) Graphene on the C-terminated SiC (0001) surface: An ab initio study
L. Magaud, F. Hiebel, F. Varchon, P. Mallet, JY. Veuillen,
PHYSICAL REVIEW B 79, 161405 (2009).

40) The effect of the annealing temperature on the structural and magnetic properties of the manganites compounds
S. Othmani, M. Bejar, E. Dhahri, EK. Hlil,
JOURNAL OF ALLOYS AND COMPOUNDS 475, 46-50 (2009).

41) Resonant spin-filtering in cobalt decorated nanotubes
X. Blase, ER. Margine,
APPLIED PHYSICS LETTERS 94, 173103 (2009).

42) Superconducting group-IV semiconductors
X. Blase, E. Bustarret, C. Chapelier, T. Klein, C. Marcenat,
NATURE MATERIALS 8, 375-382 (2009).

43) Magnetic domain wall pinning and coercivity in FePt/MgO and FePt/Pt thin films
T. Jourdan, JP. Attane, F. Lancon, C. Beigne, L. Vila, A. Marty,
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 321, 2187-2191 (2009).

44) Structural and magnetic characterisation of the perovskite oxides La0.7Ca0.3-xNaxMnO3
A. Tozri, M. Bejar, E. Dhahri, EK. Hlil,
CENTRAL EUROPEAN JOURNAL OF PHYSICS 7, 89-95 (2009).

45) On the validity of the effective mass approximation and the Luttinger k.p model in fully depleted SOI MOSFETs
D. Rideau, M. Feraille, M. Michaillat, YM. Niquet, C. Tavernier, H. Jaouen,
SOLID-STATE ELECTRONICS 53, 452-461 (2009).

46) Coherent Electronic Transport through Graphene Constrictions: Subwavelength Regime and Optical Analogy
P. Darancet, V. Olevano, D. Mayou,
PHYSICAL REVIEW LETTERS 102, 136803 (2009).

47) Ab initio study of solution energy and diffusion of caesium in uranium dioxide
F. Gupta, A. Pasturel, G. Brillant,
JOURNAL OF NUCLEAR MATERIALS 385, 368-371 (2009).

48) Interpolation between spectra satisfying sum rules
HC. Weissker, R. Hambach, V. Olevano, L. Reining,
PHYSICAL REVIEW B 79, 094102 (2009).

49) Anomalous Doping Effects on Charge Transport in Graphene Nanoribbons
B. Biel, X. Blase, F. Triozon, S. Roche,
PHYSICAL REVIEW LETTERS 102, 096803 (2009).

50) Effect of the Chemical Functionalization on Charge Transport in Carbon Nanotubes at the Mesoscopic Scale
A. Lopez-Bezanilla, F. Triozon, S. Latil, X. Blase, S. Roche,
NANO LETTERS 9, 940-944 (2009).

51) Crystal, electric transport properties and electronic structures of the Ti5Me1-xSb2+x series of compounds (Me=Cr, Mn, Fe, Co, Ni, Cu)
A. Tkachuk, L. Romaka, EK. Hlil, D. Fruchart, AN. Melnychenko-Koblyuk, Y. Stadnyk,
JOURNAL OF ALLOYS AND COMPOUNDS 470, 35-41 (2009).

52) Integral equation study of the square-well fluid for varying attraction range
EB. El Mendoub, JF. Wax, I. Charpentier, N. Jakse,
MOLECULAR PHYSICS 106, 2667-2675 (2008).

53) Renormalization factor and effective mass of the two-dimensional electron gas
M. Holzmann, B. Bernu, V. Olevano, RM. Martin, DM. Ceperley,
PHYSICAL REVIEW B 79, 041308 (2009).

54) Structure of large gold clusters obtained by global optimization using the minima hopping method
K. Bao, S. Goedecker, K. Koga, F. Lancon, A. Neelov,
PHYSICAL REVIEW B 79, 041405 (2009).

55) Determination of the single-ion anisotropy energy in a S=5/2 kagome antiferromagnet using x-ray absorption spectroscopy
MA. de Vries, TK. Johal, A. Mirone, JS. Claydon, GJ. Nilsen, HM. Ronnow, G. van der Laan, A. Harrison,
PHYSICAL REVIEW B 79, 045102 (2009).

56) Band Structure Effects on the Scaling Properties of [111] InAs Nanowire MOSFETs
E. Lind, MP. Persson, YM. Niquet, LE. Wernersson,
IEEE TRANSACTIONS ON ELECTRON DEVICES 56, 201-205 (2009).

57) Evidence of the Ge nonreactivity during the initial stage of SiGe oxidation
A. Dkhissi, AK. Upadhyay, A. Hemeryck, A. Esteve, G. Landa, P. Pochet, MD. Rouhani,
APPLIED PHYSICS LETTERS 94, 041912 (2009).

58) Local order and dynamic properties of liquid and undercooled CuxZr1-x alloys by ab initio molecular dynamics
N. Jakse, A. Pasturel,
PHYSICAL REVIEW B 78, 214204 (2008).

59) Ab initio study of boron-hydrogen complexes in diamond and their effect on electronic properties
A. Kumar, J. Pernot, A. Deneuville, L. Magaud,
PHYSICAL REVIEW B 78, 235114 (2008).

60) Metal-insulator transition in the Hartree-Fock phase diagram of the fully polarized homogeneous electron gas in two dimensions
B. Bernu, F. Delyon, M. Duneau, M. Holzmann,
PHYSICAL REVIEW B 78, 245110 (2008).

61) Features of the structural, electrokinetic, and magnetic properties of the heavily doped ZrNiSn semiconductor: Dy acceptor impurity
VA. Romaka, D. Fruchart, VV. Romaka, EK. Hlil, YV. Stadnyk, YK. Gorelenko, LG. Akselrud,
SEMICONDUCTORS 43, 7-13 (2009).

62) Early stage formation of graphene on the C face of 6H-SiC
N. Camara, G. Rius, JR. Huntzinger, A. Tiberj, L. Magaud, N. Mestres, P. Godignon, J. Camassel,
APPLIED PHYSICS LETTERS 93, 263102 (2008).

63) Orientational Dependence of Charge Transport in Disordered Silicon Nanowires
MP. Persson, A. Lherbier, YM. Niquet, F. Triozon, S. Roche,
NANO LETTERS 8, 4146-4150 (2008).