Equipe Théorie, Modélisation et Simulation
Theory, Modelling and Numerical Simulation Team


Adresse : IM2NP
Campus de Saint Jérôme
Faculté des Sciences et Techniques
Aile 1 - niveau 5, service 151
Avenue Escadrille Normandie Niemen
13397 Marseille Cedex 20
France
IM2NP
Campus de Château Gombert (bâtiment IRPHE)
49, rue Joliot Curie - BP 49
Technopôle de Château - Gombert
13384 Marseille Cedex 13
France
Articles parus dans des revues à comité de lecture depuis 2006

Batra K. , Sharma R.-P., Verga A.D. Stability analysis of nonlinear evolution patterns of modulational instability and chaos using one-dimensional Zakharov equations. Journal of Plasma Physics, vol. 72, p. 671, 2006

Bertaina S., Hayn R. Exchange integrals and magnetization distribution in BaCu2X2O7 (X=Ge, Si). Physical Review B, vol. 73, p. 212409, 2006 http://dx.doi.org/10.1103/PhysRevB.73.212409

Chanier T. , Sargolzaei M. , Opahle I., Hayn R., Koepernik K. LSDA+U versus LSDA: Towards a better description of the magnetic nearest-neighbor exchange in Co- and Mn-doped ZnO. Physical Review B, vol. 73, p. 134418, 2006

Frisch T. ,Verga A. Effect of step stiffness and diffusion anisotropy on the meandering of a growing vicinal surface. Physical Review Letters, vol. 96, p. 166104, 2006

Hankevycha V., Kyunga B., Daré A.M., Sénéchal D. and Tremblay A.-M.S. Strong- and weak-coupling mechanisms for pseudogap in electron-doped cuprates. Journal of Physics and Chemistry of Solids, vol. 67, n° 1-3, p. 189-192, 2006

Hayn R., Lombardo P., Matho K. Spectral density of the Hubbard model by the continued fraction method. Physical Review B, vol. 74, n° 20, p. 205124, 2006

Lambert-Mauriat C., Oison V. Density-functional study of oxygen vacancies in monoclinic tungsten oxide. Journal of Physics : Condensed Matter, vol. 18, p. 7361, 2006

Lombardo P., Hayn R. Japaridze G.I. Insulator-metal-insulator transition and selective spectral-weight transfer in a disordered strongly correlated system. Physical Review B, vol. 74, p. 085116, 2006

Raymond L., Albinet G., Tremblay A.-M.S. Comment on "Spin Correlations in the Paramagnetic Phase and Ring Exchange in La2CuO4". Physical Review Letters, vol. 97, p. 049701, 2006

Sati P., Hayn R., Kuzian R., Regnier S., Schäfer S., Stepanov A., Morhain C., Deparis C., Laügt M., Goiran M., and Golacki Z. Magnetic anisotropy of Co2+ as signature of intrinsic ferromagnetism in ZnO:Co. Physical Review Letters, vol. 96, p. 017203, 2006 http://dx.doi.org/10.1103/PhysRevLett.96.017203

Amsalem P., Giovanelli L., Themlin J.M., Koudia M., M. Abel M., Oison V., Ksari Y., Mossoyan M., Porte L. Interface formation and growth of a thin film of ZnPcCl8/Ag(111) studied by photoelectron spectroscopy. Surface Science, vol. 601, p. 4185, 2007

Aqua J.-N., Frisch T. , Verga A. Nonlinear evolution of a morphological instability in a strained epitaxial film. Physical Review B, vol. 76, p. 165319, 2007

Daré A.-M., Raymond L., Albinet G., Tremblay A.-M. S. Interaction-induced adiabatic cooling for antiferromagnetism in optical lattices. Physical Review B, vol.76, n° 6, p. 064402, 2007

Dufay M., Debierre J. M. Frisch T. Electromigration-induced step meandering on vicinal surfaces: Nonlinear evolution equation. Physical Review B, vol. 75, p 045413-1-10 , 2007

Dufay M., Frisch T. Debierre J. M. Role of step-flow advection during electromigration-induced step bunching. Physical Review B, vol. 75, p 241304(R)-1-4 , 2007

Frisch T., . Verga A. Nonlinear evolution of the step meandering instability of a growing crystal surface. Physica D, vol. 235, p. 15, 2007

Japaridze G. I., Hayn R., Lombardo P., Müller-Hartmann E. Band-insulator–metal–Mott-insulator transition in the half-filled t-t′ ionic Hubbard chain. Physical Review B, vol. 75, n° 24, p. 245122, 2007

Oison V. First-principle study of the hydrogen onds in a thin film of phthalocyanine molecules. Surface Science, vol. 601, p. 1040-1047, 2007

Oison V., Koudia M., Abel M., Porte L. Influence of stress on hydrogen-bond formation in a halogenated phthalocyanine network. Physical Review B, vol. 75, p. 035428, 2007

Oppeneer P.M., Elgazzar S., Shick A.B., Opahle I., Rusz J., Hayn R. Fermi surface changes due to localized-delocalized f-state transitions in Ce-115 and Pu-115 compounds. Journal of Magnetism and Magnetic Materials, vol. 310, p. 1684-1690, 2007

Sati P., Deparis C., Morhain C., Schäfer S., and Stepanov A. Antiferromagnetic Interactions in single crystalline Zn1−xCoxO thin films. Physical Review Letters, vol. 98, p.137204, 2007 http://dx.doi.org/10.1103/PhysRevLett.98.137204

Sati P., Schäfer S., Morhain C., Deparis C., and Stepanov A. Magnetic properties of single crystalline Zn1−xCoxO thin films. Superlattices and Microstructures, vol. 42, p.191, 2007. http://dx.doi.org/10.1016/j.spmi.2007.04.053

Serdouk S., Hayn R. , Autran J.-L. Theory of spin dependent tunnelling current in ferromagnetic metal-oxide-silicon structures. Journal of Applied Physics, vol. 102, p. 113707, 2007

Abel M., Oison V., Koudia M., Porte L. Conformation change of tetrahydroxyquinone deposited on Ag(111). Physical Review B, vol. 77, p. 085410, 2008

Aqua  J-N.,    Frisch T. Elastic interactions and kinetics during reversible submonolayer growth: Monte Carlo simulations. Physical Review B, vol. 78, p. 121305,  2008

Chanier T., Opahle I., Sargolzaei M., Hayn R., Lannoo M. Magnetic state around cation vacancies in II-VI semiconductors. Physical Review Letters, vol. 100, p. 026405 , 2008

Craco L., Lombardo P., Hayn R., Japaridze G. I., Müller-Hartmann E. Electronic phase transitions in the half-filled ionic Hubbard model. Physical Review B, vol. 78, n° 7, p. 075121, 2008

Fu C.-C., Meslin E., Barbu A., Willaime F., Oison V. Effect of C vacancy migration in a-iron. Solid State Phenomena, vol. 139, p. 157, 2008

Ghorayeb A. M., Costes M., Goiran M., Broto J.-M., Schäfer S., Hayn R., Richter J., Millet P., Stepanov A. High-field magnetization and electron spin resonance in the spin-gap system Na1.286 V2O5. Physical Review B, vol. 77, p. 224434, 2008 http://dx.doi.org/10.1103/PhysRevB.77.224434

Haselwandter C.A., Raymond L., Verga A., Vvedensky D. Occam's razor on surfaces : renormalization of microscopic processes. Journal of Physics : Condensed Matter, vol 20, p. 304203, 2008

Lombardo P., Guisiano J.C., Hayn R. Full diagonal disorder in a strongly correlated system. Physica B : Condensed Matter, vol. 403, p. 3485, 2008

Sassi M., Oison V. Debierre J. M. First principle study of a bimolecular thin film on Ag(111) surface. Surface Science, vol. 602, n° 17, p. 2856-2862, 2008

Aqua J.N., Fisher M.E. Criticality in multicomponent spherical models: Results and cautions. Physical Review B, vol. 79, n° 1, p. 011118, 2009 http://dx.doi.org/10.1103/PhysRevE.79.011118

Bescond M., Lannoo M., Raymond L., Michelini F. Theoretical study of ionized impurities in silicon nanowire MOS transistors. Solid State Phenomena, vol.156-158, p. 511., 2009 http://dx.doi.org/10.4028/www.scientific.net/SSP.156-158.511

Kuz'min M., Hayn R., Oison V. Ab initio calculated XANES and XMCD spectra od Fe(II) phthalocyanine. Physical Review B, vol. 79, p. 024413, 2009

Leroy F, Karashanova D, Dufay M, Debierre J-M, Frisch T et Muller P. Step bunching to step-meandering transition induced by electromigration on Si(111) vicinal surface. Surface Science, vol.  603,  p. 507-512, 2009

Michelini F., Cavassilas N., Hayn R., Szczap M. Multiband k.p models for strained zincblende cristals: Application to the fine structure of ZnO. Physical Review B, Volume: 80   Issue: 24     Article Number: 245210   DOI: 10.1103/PhysRevB.80.245210   Published: DEC 2009

Bescond M., M. Lannoo, L. Raymond and F. Michelini. Single donor induced negative differential resistance in silicon n-type nanowire Metal-Oxide-Semiconductor transistors. Applied Physics 107, 093703, 2010                                                                                                                                                     

Pawlak R., L. Nony, F. Bocquet, V. Oison, M. Sassi, J.M. Debierre, C. Loppacher and L. Porte. Supramolecular assemblies of 1,4-benzene diboroninc acid on KCl(001)  Journal of Chemical Physics C, 114, 9290-9295, 2010  DOI: 10.1021/jp102044u

Abid, M. and Verga, A. Turbulence driven by singularities in vortex sheet dynamics Phys. Rev. E  84  026318  (2011)

Boukortt A., Hayn R., Virot F. and Zaoui A. Influence of magnetic Co impurities on the optical interband transitions in ZnO Physica status solidi B 248 980 (2011)


Elías, R. and Verga, A. Magnetization structure of a Bloch point singularity Eur. Phys. J. B  82  159  (2011)
Kuzian R.O., Daré A.-M., Savoyant A., D'Ambrosio S. and Stepanov A. Spatial anisotropy of the exchange integrals in Mn-doped wurtzite-type semiconductors Phys. Rev. B 84 165207 (2011)


Lombardo P., Ezzaidi Y. and Hayn R. Spin polarized Kondo transport through a quantum dot connected to ferromagnetic leads. Physica E 44 168 (2011)

Laugier, J-M; Raymond, L.; Albinet, G.; et al. Numerical modelling of impedance spectra of ionic conductor-insulator core-shell composites
Modelling and Simulation in Materials Science and Engineering Volume: 19 Issue: 6 Published: SEP 2011 
DOI: 10.1088/0965-0393/19/6/065001


Oison V., Saadi L., Lambert-Mauriat C. and Hayn R. Mechanism of CO and O3 sensing on WO3 surfaces : First principle study Sens. Actuators B : Chemical, 160 505 (2011)


Ourdjini O., Pawlak R., Abel M., Clair S., Chen L., Bergeon N., Sassi M., Oison V., Debierre J.-M., Coratger R. and Porte L. Substrate-mediated ordering and defect analysis of a surface covalent organic framework  Phys. Rev. B 84  125421  (2011)

Pons, Nicolas; Cavassilas, Nicolas; Raymond, Laurent; et al. Three-dimensional k.p real-space quantum transport simulations of p-type nanowire transistors: Influence of ionized impurities. Applied Physics Letters Volume: 99 Issue: 8 Published: AUG 22 2011 


Sargolzaei M., Lotfizadeh N. and Hayn R. First principles study on magnetic properties of Zn vacancies in ZnO doped with single chalcogen X (X=S, Se, and Te) Journal of Applied Physics 109 073705 (2011)


Schäfer,  S. Anderson impurity model with a narrow-band host: From orbital physics to the Kondo effect Phys. Rev. B 83  195110  (2011)


Van den Berg, T. L., Raymond, L. and Verga, A. Dynamical spin Hall conductivity in a magnetic disordered system Phys. Rev. B  84  245210  (2011)


Virot F., Hayn R. and Boukortt A. Electronic structure and Jahn-Teller effect in GaN :Mn and ZnS :Cr Journal of Physics : Condensed Matter 23 025503 (2011)


Virot F., Hayn R., Richter M. and van den Brink J. Metacinnabar (b-HgS) : A strong 3D topological insulator with highly anisotropic surface states Phys. Rev. Lett. 106 236806 (2011)


Boukortt A., Hayn R. and Virot F. Optical properties of Mn-doped GaN Physical Review B 85 033302 (2012)

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