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Publications 


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  2011

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1) Magnetic and electronic properties of nanocrystalline Gd(3)Fe(5)O(12) garnet
H. Lassri, EK. Hlil, S. Prasad, R. Krishnan,
JOURNAL OF SOLID STATE CHEMISTRY 184, 3216-3220 (2011).

2) X-Ray Magnetic Circular Dichroism Measurements in Ni up to 200 GPa: Resistant Ferromagnetism
R. Torchio, YO. Kvashnin, S. Pascarelli, O. Mathon, C. Marini, L. Genovese, P. Bruno, G. Garbarino, A. Dewaele, F. Occelli, P. Loubeyre,
PHYSICAL REVIEW LETTERS 107, 237202 (2011).

3) Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores
M. Huix-Rotllant, A. Ipatov, A. Rubio, ME. Casida,
CHEMICAL PHYSICS 391, 120-129 (2011).

4) Non-magnetic impurity induced magnetism in rutile TiO(2):K compounds
SK. Srivastava, P. Lejay, B. Barbara, O. Boisron, S. Pailhes, G. Bouzerar,
JOURNAL OF PHYSICS-CONDENSED MATTER 23, 442202 (2011).

5) Condensed Fraction of an Atomic Bose Gas Induced by Critical Correlations
RP. Smith, N. Tammuz, RLD. Campbell, M. Holzmann, Z. Hadzibabic,
PHYSICAL REVIEW LETTERS 107, 190403 (2011).

6) Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach
X. Blase, C. Attaccalite,
APPLIED PHYSICS LETTERS 99, 171909 (2011).

7) Thin films of thermoelectric compound Mg(2)Sn deposited by co-sputtering assisted by multi-dipolar microwave plasma
H. Le-Quoc, A. Lacoste, EK. Hlil, A. Be, TT. Vinh, D. Fruchart, N. Skryabina,
JOURNAL OF ALLOYS AND COMPOUNDS 509, 9906-9911 (2011).

8) Ordering effects in disordered systems: the Au-Si system
N. Jakse, TLT. Nguyen, A. Pasturel,
JOURNAL OF PHYSICS-CONDENSED MATTER 23, 404205 (2011).

9) Electron-phonon coupling in the C(60) fullerene within the many-body GW approach
C. Faber, JL. Janssen, M. Cote, E. Runge, X. Blase,
PHYSICAL REVIEW B 84, 155104 (2011).

10) Local order and dynamic properties in liquid Au-Ge eutectic alloys by ab initio molecular dynamics
A. Pasturel, N. Jakse,
PHYSICAL REVIEW B 84, 134201 (2011).

11) Control of magnetic properties of epitaxial Mn(5)Ge(3)C(x) films induced by carbon doping
A. Spiesser, I. Slipukhina, MT. Dau, E. Arras, V. Le Thanh, L. Michez, P. Pochet, H. Saito, S. Yuasa, M. Jamet, J. Derrien,
PHYSICAL REVIEW B 84, 165203 (2011).

12) Ab initio study of hydrogen related defect in ZrO(2): Consequences on dry and aqueous oxidation
B. Malki, O. Le Bacq, A. Pasturel,
JOURNAL OF NUCLEAR MATERIALS 416, 362-368 (2011).

13) Hartree-Fock phase diagram of the two-dimensional electron gas
B. Bernu, F. Delyon, M. Holzmann, L. Baguet,
PHYSICAL REVIEW B 84, 115115 (2011).

14) Momentum Distribution of the Homogeneous Electron Gas
M. Holzmann, B. Bernu, C. Pierleoni, J. McMinis, DM. Ceperley, V. Olevano, L. Delle Site,
PHYSICAL REVIEW LETTERS 107, 110402 (2011).

15) Multi-scale modelling of silicon nanocrystal synthesis by Low Pressure Chemical Vapor Deposition
I. Zahi, P. Mur, P. Blaise, A. Esteve, MD. Rouhani, H. Vergnes, B. Caussat,
THIN SOLID FILMS 519, 7650-7658 (2011).

16) Absence of ferromagnetism in Mn-doped tetragonal zirconia
SK. Srivastava, P. Lejay, B. Barbara, O. Boisron, S. Pailhes, G. Bouzerar,
JOURNAL OF APPLIED PHYSICS 110, 043929 (2011).

17) Band offsets, wells, and barriers at nanoscale semiconductor heterojunctions
YM. Niquet, C. Delerue,
PHYSICAL REVIEW B 84, 075478 (2011).

18) Electronic and magnetic structures of V-doped zinc blende Zn(1-x)V(x)N(y)O(1-y) and Zn(1-x)V(x)P(y)O(1-y)
N. Mamouni, M. Belaiche, A. Benyoussef, A. El Kenz, H. Ez-Zahraouy, M. Loulidi, EH. Saidi, EK. Hlil,
CHINESE PHYSICS B 20, 087504 (2011).

19) Boron-deuterium complexes in diamond: How inhomogeneity leads to incorrect carrier type identification
A. Kumar, J. Pernot, F. Omnes, P. Muret, A. Traore, L. Magaud, A. Deneuville, N. Habka, J. Barjon, F. Jomard, MA. Pinault, J. Chevallier, C. Mer-Calfati, JC. Arnault, P. Bergonzo,
JOURNAL OF APPLIED PHYSICS 110, 033718 (2011).

20) Explanation of the Charge Trapping Properties of Silicon Nitride Storage Layers for NVMs-Part II: Atomistic and Electrical Modeling
E. Vianello, F. Driussi, P. Blaise, P. Palestri, D. Esseni, L. Perniola, G. Molas, B. De Salvo, L. Selmi,
IEEE TRANSACTIONS ON ELECTRON DEVICES 58, 2490-2499 (2011).

21) A GPU-Based Architecture for Real-Time Data Assessment at Synchrotron Experiments
S. Chilingaryan, A. Mirone, A. Hammersley, C. Ferrero, L. Helfen, A. Kopmann, TD. Rolo, P. Vagovic,
IEEE TRANSACTIONS ON NUCLEAR SCIENCE 58, 1447-1455 (2011).

22) Electronic structure calculations and optical properties of a new organic-inorganic luminescent perovskite: (C(9)H(19)NH(3))(2)PbI(2)Br(2)
H. Abid, A. Samet, T. Dammak, A. Mlayah, EK. Hlil, Y. Abid,
JOURNAL OF LUMINESCENCE 131, 1753-1757 (2011).

23) Optimized energy landscape exploration using the ab initio based activation-relaxation technique
E. Machado-Charry, LK. Beland, D. Caliste, L. Genovese, T. Deutsch, N. Mousseau, P. Pochet,
JOURNAL OF CHEMICAL PHYSICS 135, 034102 (2011).

24) Use of the Dual Potential to Rationalize the Occurrence of Some DNA Lesions (Pyrimidic Dimers)
C. Morell, V. Labet, PW. Ayers, L. Genovese, A. Grand, H. Chermette,
JOURNAL OF PHYSICAL CHEMISTRY A 115, 8032-8040 (2011).

25) Ab initio calculation of effective work functions for a TiN/HfO(2)/SiO(2)/Si transistor stack
PY. Prodhomme, F. Fontaine-Vive, A. Van der Geest, P. Blaise, J. Even,
APPLIED PHYSICS LETTERS 99, 022101 (2011).

26) Structural, magnetic and magnetocaloric properties of the lanthanum deficient in La(0.8)Ca(0.2-x)rectangle(x)MnO(3) (x=0-0.20) manganites oxides
M. Khlifi, M. Bejar, O. El Sadek, E. Dhahri, MA. Ahmed, EK. Hlil,
JOURNAL OF ALLOYS AND COMPOUNDS 509, 7410-7415 (2011).

27) Features of a priori Heavy Doping of the n-TiNiSn Intermetallic Semiconductor
VA. Romaka, P. Rogl, VV. Romaka, EK. Hlil, YV. Stadnyk, SM. Budgerak,
SEMICONDUCTORS 45, 850-856 (2011).

28) Defects-induced gap states in hydrogenated gamma-alumina used as blocking layer for non-volatile memories
L. Masoero, P. Blaise, G. Molas, JP. Colonna, M. Gely, JP. Barnes, G. Ghibaudo, B. De Salvo,
MICROELECTRONIC ENGINEERING 88, 1448-1451 (2011).

29) An X-ray diffraction, magnetic susceptibility and spectroscopic studies of Yb(2-x)Cr(x)O(3)
S. Hamdi, M. Amami, EK. Hlil, R. Ben Hassen,
JOURNAL OF SOLID STATE CHEMISTRY 184, 1828-1833 (2011).

30) Spin-Wave Excitations in Evaporated Co/Pt Multilayers
H. Salhi, K. Chafai, O. Msieh, H. Lassri, K. Benkirane, M. Abid, L. Bessais, EK. Hlil,
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM 24, 1375-1379 (2011).

31) Magnetic Studies in Sputtered Ni/Ti Multilayers
H. Salhi, K. Chafai, H. Lassri, M. Abid, EK. Hlil,
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM 24, 1735-1738 (2011).

32) Charge ordering analysis by electrical and dielectric measurements in Ca(2-x)Pr(x)MnO(4) (x=0-0.2) compounds
MT. Tlili, N. Chihaoui, M. Bejar, E. Dhahri, MA. Valente, EK. Hlil,
JOURNAL OF ALLOYS AND COMPOUNDS 509, 6447-6451 (2011).

33) Superconductivity in doped clathrates, diamond and silicon
X. Blase,
COMPTES RENDUS PHYSIQUE 12, 584-590 (2011).

34) Magnetic spin excitations in Mn doped GaAs: a model study
A. Chakraborty, R. Bouzerar, G. Bouzerar,
EUROPEAN PHYSICAL JOURNAL B 81, 405-409 (2011).

35) Pressure-induced amorphization mechanism in Eu(2)(MoO(4))(3)
O. Le Bacq, D. Machon, D. Testemale, A. Pasturel,
PHYSICAL REVIEW B 83, 214101 (2011).

36) Energy Landscape of Fullerene Materials: A Comparison of Boron to Boron Nitride and Carbon
S. De, A. Willand, M. Amsler, P. Pochet, L. Genovese, S. Goedecker,
PHYSICAL REVIEW LETTERS 106, 225502 (2011).

37) ELECTRONIC TRANSPORT IN GRAPHENE: QUANTUM EFFECTS AND ROLE OF LOCAL DEFECTS
GT. De Laissardiere, D. Mayou,
MODERN PHYSICS LETTERS B 25, 1019-1028 (2011).

38) Photoinduced Melting of Antiferromagnetic Order in La(0.5)Sr(1.5)MnO(4) Measured Using Ultrafast Resonant Soft X- Ray Diffraction
H. Ehrke, RI. Tobey, S. Wall, SA. Cavill, M. Forst, V. Khanna, T. Garl, N. Stojanovic, D. Prabhakaran, AT. Boothroyd, M. Gensch, A. Mirone, P. Reutler, A. Revcolevschi, SS. Dhesi, A. Cavalleri,
PHYSICAL REVIEW LETTERS 106, 217401 (2011).

39) Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study
E. Arras, D. Caliste, T. Deutsch, F. Lancon, P. Pochet,
PHYSICAL REVIEW B 83, 174103 (2011).

40) Fission products stability in uranium dioxide
G. Brillant, F. Gupta, A. Pasturel,
JOURNAL OF NUCLEAR MATERIALS 412, 170-176 (2011).

41) Coupling of excitons and defect states in boron-nitride nanostructures
C. Attaccalite, M. Bockstedte, A. Marini, A. Rubio, L. Wirtz,
PHYSICAL REVIEW B 83, 144115 (2011).

42) Stability of Frenkel pairs in Si(100) surface in the presence of germanium and oxygen atoms
S. Fetah, A. Chikouche, A. Dkhissi, G. Landa, P. Pochet,
MICROELECTRONIC ENGINEERING 88, 503-505 (2011).

43) Impact of vacancy and Na substitutions on the critical magnetic behavior in polycrystalline La(0.8)Pb(0.2)MnO(3)
A. Tozri, E. Dhahri, EK. Hlil,
PHYSICS LETTERS A 375, 1528-1533 (2011).

44) The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters
S. De, SA. Ghasemi, A. Willand, L. Genovese, D. Kanhere, S. Goedecker,
JOURNAL OF CHEMICAL PHYSICS 134, 124302 (2011).

45) First-principles study of defect behavior in irradiated uranium monocarbide
R. Ducher, R. Dubourg, M. Barrachin, A. Pasturel,
PHYSICAL REVIEW B 83, 104107 (2011).

46) First-principles GW calculations for DNA and RNA nucleobases
C. Faber, C. Attaccalite, V. Olevano, E. Runge, X. Blase,
PHYSICAL REVIEW B 83, 115123 (2011).

47) First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
X. Blase, C. Attaccalite, V. Olevano,
PHYSICAL REVIEW B 83, 115103 (2011).

48) High-pressure polarized Raman spectra of Gd(2)(MoO(4))(3): phase transitions and amorphization
G. Lucazeau, O. Le Bacq, A. Pasturel, P. Bouvier, T. Pagnier,
JOURNAL OF RAMAN SPECTROSCOPY 42, 452-460 (2011).

49) Magnetic studies in evaporated Ni/Pd multilayers
K. Chafai, H. Salhi, H. Lassri, Z. Yamkane, M. Lassri, M. Abid, EK. Hlil, R. Krishnan,
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 323, 596-599 (2011).

50) Graphene on the carbon face of SiC: Electronic structure modification by hydrogen intercalation
F. Hiebel, P. Mallet, JY. Veuillen, L. Magaud,
PHYSICAL REVIEW B 83, 075438 (2011).

51) Transient localization in crystalline organic semiconductors
S. Ciuchi, S. Fratini, D. Mayou,
PHYSICAL REVIEW B 83, 081202 (2011).

52) Low-energy boron fullerenes: Role of disorder and potential synthesis pathways
P. Pochet, L. Genovese, S. De, S. Goedecker, D. Caliste, SA. Ghasemi, K. Bao, T. Deutsch,
PHYSICAL REVIEW B 83, 081403 (2011).

53) Structural and magnetic properties and evidence of spin-glass behavior induced by Fe-doping in perovskite manganites B-site
MT. Tlili, M. Bejar, E. Dhahri, M. Sajieddine, MA. Valente, EK. Hlil,
MATERIALS CHARACTERIZATION 62, 243-247 (2011).

54) Optical conductivity of Mn-doped GaAs
G. Bouzerar, R. Bouzerar,
NEW JOURNAL OF PHYSICS 13, 023002 (2011).

55) Daubechies wavelets for high performance electronic structure calculations: The BigDFT project
L. Genovese, B. Videau, M. Ospici, T. Deutsch, S. Goedecker, JF. Mehaut,
COMPTES RENDUS MECANIQUE 339, 149-164 (2011).

56) Critical behavior near the paramagnetic to ferromagnetic phase transition temperature in La(0.7)Pb(0.05)Na(0.25)MnO(3)
A. Tozri, E. Dhahri, EK. Hlil, MA. Valente,
SOLID STATE COMMUNICATIONS 151, 315-320 (2011).

57) Two-Dimensional Graphene with Structural Defects: Elastic Mean Free Path, Minimum Conductivity, and Anderson Transition
A. Lherbier, SMM. Dubois, X. Declerck, S. Roche, YM. Niquet, JC. Charlier,
PHYSICAL REVIEW LETTERS 106, 046803 (2011).

58) Vacancy-mediated diffusion in biaxially strained Si
D. Caliste, KZ. Rushchanskii, P. Pochet,
APPLIED PHYSICS LETTERS 98, 031908 (2011).

59) Crystal structure analysis of the Mg(2)Si(1-x)Sn(x) system having potential thermoelectric properties at high temperature
D. Boudemagh, D. Fruchart, R. Haettel, EK. Hlil, A. Lacoste, L. Ortega, N. Skryabina, J. Tobola, P. Wolfers,
SOLID COMPOUNDS OF TRANSITION ELEMENTS 170, 253-258 (2011).

60) Breakdown of semi-classical conduction theory in approximants of the octagonal tiling
GT. de Laissardiere, C. Oguey, D. Mayou,
PHILOSOPHICAL MAGAZINE 91, 2778-2786 (2011).

61) Random local strain effects in the relaxor ferroelectric BaTi1-xZrxO3: experimental and theoretical investigation
C. Laulhe, F. Hippert, J. Kreisel, A. Pasturel, A. Simon, JL. Hazemann, R. Bellissent, GJ. Cuello,
PHASE TRANSITIONS 84, 438-452 (2011).

62) Study of the mechanical properties of a duplex structured material using the finite element method
S. Laasri, M. Taha, EK. Hlil, A. Hajjaji,
COMPTES RENDUS MECANIQUE 339, 35-41 (2011).

63) Study of parasitic trapping in alumina used as blocking oxide for nonvolatile memories
JP. Colonna, M. Bocquet, G. Molas, N. Rochat, P. Blaise, H. Grampeix, C. Licitra, D. Lafond, L. Masoero, V. Vidal, JP. Barnes, M. Veillerot, K. Yckache,
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B 29, 01AE02 (2011).

64) ORGANIZING SOFTWARE GROWTH AND DISTRIBUTED DEVELOPMENT: THE CASE OF ABINIT
Y. Pouillon, JM. Beuken, T. Deutsch, M. Torrent, X. Gonze,
COMPUTING IN SCIENCE & ENGINEERING 13, 62-69 (2011).