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Publications

2010-2011

T. O. Mentes, N. Stojic, A. Locatelli, L. Aballe, N. Binggeli, M. A. Nino,  M. Kiskinova, and E. Bauer, ``Stress engineering at the nanometer scale: Two-component adlayer stripes'', Europhys. Lett.  94, 38003 (2011).

L. Mouketo, N. Binggeli, and B. M'Passi-Mabiala, ``Quantum size effects on chemisorption properties: CO on Cu ultrathin films from first principles'', Phys. Rev. B 84, 205452 (2011).

B. Zheng and N. Binggeli,  ``Influence of the interface atomic structure on the magnetic and electronic properties of  La2/3Sr1/3MnO3/SrTiO3(001) heterojunctions'', Phys. Rev. B 82, 245311 (2010).

N. Ghaderi, M. Peressi, N. Binggeli, and H. Akbarzadeh, ``Structural properties and energetics of intrinsic and Si-doped  GaAs Nanowires'', Phys. Rev. B 81, 155311 (2010).

L. Mouketo, N. Binggeli, and B. M'Passi-Mabiala, ``Magnetism at the V/Gd interface'', J. Phys.: Condens. Matter 22, 186003 (2010).

N. Stojic, T. O. Mentes, N. Binggeli, M. A. Nino, A. Locatelli, and E. Bauer, ``Temperature dependence of surface stress across an order-disorder transition: p(1x2) O/W(110)'', Phys. Rev. B 81, 115437 (2010).

I. Leonov, Dm. Korotin, N. Binggeli, V. I. Anisimov, and D. Vollhardt,  ``Computation of correlation-induced atomic displacements and structural transformations in paramagnetic KCuF3 and LaMnO3'' Phys. Rev.  B 81, 075109 (2010).

L. Aballe, A. Barinov, N. Stojic, N. Binggeli, T. O. Mentes, A. Locatelli, and M. Kiskinova, ``The electron density decay length effect on surface reactivity'',  J. Phys.: Condens. Matter 22, 015001 (2010).


2008-2009

B. Zeng and N. Binggeli, “ Effects of chemical order and atomic relaxation on the electronic and magnetic properties of La2/3Sr1/3MnO3”, J. Phys.: Condens. Matter  21, 115602 (2009).

I. Leonov, N. Binggeli, Dm. Korotin, V. I. Anisimov, N. Stojic, and D. Vollhardt, “Structural relaxation due to electronic correlations in the paramagnetic insulator KCuF3”, Phys. Rev. Lett. 101, 096405 (2008).

N. Binggeli and M. Altarelli, “Quantum-size effects in ultrathin Mg films”, Phys. Rev. B 78 035438 (2008).

Dm. Korotin, A. V. Kozhevnikov, S. L. Skornyakov, I. Leonov, N. Binggeli,V. I. Anisimov, and G. Trimarchi, “Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlatedmaterials”, Eur. Phys. J. B 65, 91 (2008).

R. M. Galera, Y. Joly, A. Rogalev, and N. Binggeli, `”Quadrupolar dichroism in rare-earth-zinc compounds”,  J. Phys.: Condens. Matter 20, 395217 (2008).

N. Stojic and N. Binggeli, “Phase stability of Fe and Mn within density functional theory plus on-site Coulomb interaction approaches”, J. Magn. Magn. Mater. 320, 100 (2008).

G. Trimarchi, I. Leonov, N. Binggeli, Dm. Korotin, and V. I. Anisimov, “LDA + DMFT implemented with the pseudopotential plane-wave approach”, J. Phys.: Condens. Matter 20, 135227 (2008).

T. O. Mentes, N. Stojic, N. Binggeli, M. A. Nino, A. Locatelli, L. Aballe, M. Kiskinova, and E. Bauer, “Strain relaxation in small adsorbate islands: O on W(110)”, Phys. Rev. B 77, 155414 (2008).

N. Ghaderi, M. Peressi, and N. Binggeli, “First-Principles Investigations of Intrinsic and Si-doped GaAs Nanowires: Structural Stability and Electronic Properties”,  in Frontiers of Fundamental and Computational Physics: 9th International Symposium, AIP Conference Proceedings 1018, 193 (2008).

J. Deisenhofer, I. Leonov, M. V. Eremin, C. Kant, P. Ghigna, F. Mayr, V. V. Iglamov, V. I. Anisimov, D. van der Marel, “Optical Evidence for Symmetry Changes above the Neel Temperature of KCuF3”, Phys. Rev. Lett. 101, 157406 (2008).

T. O. Mentes, N. Stojic, N. Binggeli, M. A. Nino, A. Locatelli, L. Aballe, M. Kiskinova, and E. Bauer, “Surface stress determination using low-energy electron diffraction'” in Elettra Highlights 2007-2008, pp. 46-47.


2006-2007

N. Stojic, N. Binggeli, and M. Altarelli, "Surface magnetism of Rh(001) from GGA+U calculations" in Elettra Highlights 2006-2007, pp. 100-101.

I. Leonov and A. N. Yaresko, "On the Verwey charge ordering in magnetite", J. Phys.: Condens. Matter 19, 21001 (2007).

J. Fujii, G. Panaccione, I. Vobornik, G. Rossi, G. Trimarchi, and N. Binggeli, "C-Fe chains due to segregated Carbon Impurities on Fe(100)", Surf. Sci. 600, 3884 (2006).

G. Panaccione, J. Fujii, I. Vobornik, G. Trimarchi, N. Binggeli, A. Goldoni, R. Larciprete, and G. Rossi, "Local and Long Range Order of Carbon Impurities on Fe(100): analysis of self-organization at a nanometer scale'', Phys. Rev. B 73, 35431 (2006).

N. Binggeli and M. Altarelli, "Surface reactivity and quantum-size effects on the electronic density decay length of ultrathin metal films'', Phys. Rev. Lett. 96, 36805 (2006).

G. Trimarchi and N. Binggeli, "One-dimensional surface states induced by segregated impurities at transition-metal surfaces'', Phys. Stat. Sol. (b) 243, 2105 (2006).

N. Stojic, N. Binggeli, and M. Altarelli, "Surface magnetism of Rh(001) from LDA+U calculations'', Phys. Rev. B 73, 100405(R) (2006).

V. Scagnoli, U. Staub, A. M. Mulders, M. Janousch, G. I. Meijer. G. Hammerl, J. M. Tonnerre and N. Stojic, "The role of magnetic and orbital ordering at the metal-insulator transition in NdNiO3'', Phys. Rev. B 73, R100409 (2006).

G. Panaccione, M. Altarelli, A. Fondacaro, A. Georges, S. Huotari, P. Lacovig, A. Lichtenstein, P. Metcalf, G. Monaco, F. Offi, L. Paolasini, A. Poteryaev, O. Tjernberg, M. Sacchi, "Coherent peaks and minimal probing depth in photoemission spectroscopy of Mott-Hubbard systems", Phys. Rev. Lett. 97, 116401 (2006).

S. B. Wilkins, N. Stojic, T. A. W. Beale, N. Binggeli,  P. Bencock, S. Stanescu, J. F. Mitchell, P. Abbamonte, P. D. Hatton, and M. Altarelli, "Separating the causes of orbital ordering in LaSr2Mn2O7 using resonant soft x-ray diffraction'', J. Phys.: Condens. Matter 18, L323 (2006).

N. Binggeli and M. Altarelli, “Quantum-size effects on surface reactivity” in Elettra Highlights 2005-2006, pp. 98-100.


2004-2005

G. Trimarchi and N. Binggeli, "Structural and electronic properties of LaMnO3 under pressure: an ab initio LDA + U study'', Phys. Rev. B 71, 35101 (2005).

M. Di Ventra, C. Berthod, and N. Binggeli, "Heterovalent interlayers and interface states: an ab initio study of GaAs/Si/GaAs (110) and (100) heterostructures'', Phys. Rev. B 71, 155324 (2005).

S. B. Wilkins, N. Stojic, T. A. W. Beale, N. Binggeli, C. W. M. Castleton, P. Bencock, D. Prabhakaran, A. T. Boothroyd, P. D. Hatton, and M. Altarelli, "Resonant soft x-ray scattering investigation of orbital and magnetic ordering in La0.5Sr1.5MnO4'', Phys. Rev. B 71, 245102 (2005).

G. Trimarchi and N. Binggeli, "One-dimensional Fe surface states confined by self-assembled carbon chains at the Fe(001) surface'', Phys. Rev. B 72, 81408(R)  (2005).

N. Stojic, N. Binggeli, and M. Altarelli, "Mn L2,3 edge resonant x-ray scattering in manganites: influence of the magnetic state'', Phys. Rev. B 72, 104108 (2005).

M. Komelj and N. Stojic, ''Ab initio investigation of magnetism in two-dimensional uranium systems'', Phys. Rev. B 71, 052410 (2005).

G. Panaccione, G. Cautero, M. Cautero, A. Fondacaro, M. Grioni, P. Lacovig, G. Monaco, F. Offi, G. Paolicelli, M. Sacchi, N. Stojic, G. Stefani, R. Tommasini, and P. Torelli: ''High-energy photoemission in silver: resolving d and sp contributions in valence band spectra'', J. Phys.:Condens. Matter 17, 2671 (2005).

M. Taguchi and M. Altarelli, "Resonant Magnetic Scattering at the Mn K-edge in RbMnF3: Theoretical Discussion", J. of Electr. Spectr. ReI. Phenomena 136, 205 (2004).

N. Binggeli and M. Altarelli, "Orbital Ordering, Jahn-Teller Distortion and Resonant X-ray Scattering in KCuF3", Phys. Rev. B 70, 085117 (2004).

N. Binggeli and M. Altarelli, "Strain Effects and Anomalous X-ray Scattering in Tetragonal Manganites", New Journal of Physics 6, 165 (2004).

C. Sgiarovello, N. Binggeli and A. Baldereschi, "Surface morphology and ionization potentials of polar semiconductors: the case of GaAs", Phys. Rev. B 69, 35320 (2004).


2002-2003


T. Maxisch, N. Binggeli and A. Baldereschi, "Intermetallic bonds and midgap interface states at epitaxial Al/GaAs(001) junctions", Phys. Rev. B 67, 125315 (2003).

C. Berthod, N. Binggeli and A. Baldereschi, "Schottky barrier heights at polar metal/semiconductor interfaces", Phys. Rev. B 68, 085383 (2003).

T. Maxisch, A. Baldereschi and N. Binggeli, "Midgap interface states at epitaxial AI/AIAs(001) heterojunctions", Solid State Commun. 126, 265 (2003).

L. Paolasini, R. Caciuffo, A. Sollier, P. Ghigna and M. Altarelli, "Coupling between Spin and Orbital Degrees of Freedom in KCuF3", Physical Review Letters 88, 106403 (2002).

R. Caciuffo, L. Paolasini, A. Sollier, P. Ghigna, E. Pavarini, J. van den Brink and M. Altarelli, "Resonant X-ray Scattering Study of Magnetic and Orbital Order in KCuF3", Physical Review B 65, 174425 (2002).

M. Taguchi and M. Altarelli, "Orbital Order in LaMn03: Cluster Model Calculations of Resonant X-ray Scattering and X-ray Absorption at the Mn L2-L3 edges, "Surf. Review and Letters 9, 1167 (2002).

M. Taguchi, C. Demangeat and J.C. Parlebas. "Relative Stability of an On top and an Inverted Mn Monolayer on Ag(111): Comparison with the Surface Alloy Case", J. Magn. Magn. Mat. 240, 352 (2002).

C.J. Fall, N. Binggeli, and A. Baldereschi, "Work Functions and Surface Charges at Metallic Facet Edges", Physical Review B 66, 075405 (2002).


1999-2001

M. Altarelli, "Studies of Magnetic Order with Synchrotron Radiation: Where Do We Go from Here?", Journal of Magnetism and Magnetic Materials 233, 1 (2001).

M. Taguchi, L. Braicovich, G. Ghiringhelli, A. Tagliaferri, F. Borgatti, C. Dallera, K. Giarda, and N.B. Brookes, "X-ray M4,5 resonant Raman scattering from La metal with a final 4p hole: Calculations with 4p-4d-4f configuration interaction in the final state and comparison to experiments". Phys. Rev. B 63, 235113 (2001).

M. Taguchi, L. Braicovich, F. Borgatti, G. Ghiringhelli, A. Tagliaferri, N.B. Brookes, T. Uozumi, and A. Kotani, "Resonant Raman scattering at the L thresholds with final 3s hole in 3d2+ systems: I. Configuration interaction with two 3p hole final states in different systems", Phys. Rev. B 63, 245114 (2001).

L. Braicovich, M. Taguchi, F. Borgatti, G. Ghiringhelli, A.Tagliaferri, N.B. Brookes, I. Uozumi, and A. Kotani. Resonant Raman scattering at the L thresholds with final 3s hole in 3d2+ systems. II. The CoO case in the whole L2,3 region", Phys. Rev. B 63, 245115 (2001).

P. Kruger, M. Taguchi and S. Meza-Aguilar, "Magnetism of 3d transition metal monolayers on Cu(111) and Ag(111)", Phys. Rev. B 61,15277 (2000).

C.W.M. Castleton and M. Altarelli, "Orbital Ordering in the Manganites: Resonant X-ray Scattering Predictions at the Manganese L2 and L3 edges", Phys. Rev. B 62, 1033 (2000).

M. Taguchi, F. Le Normand, J. Hommet, S. Rey, G. Schmerber and J.C. Parlebas, "Evolution of the electronic structure of NixSLy ordered system: experimental and theoretical investigations", The European Physical Journal 818, 611 (2000).

L. Paolasini, C. Vettier, F. de Bergevin, F. Yakhou, D. Mannix, A. Stunault, W. Neubeck, M. Altarelli, M. Fabrizio, P.A. Metcalf and J.M. Honig. "Orbital Occupancy Order in V203: Resonant X-ray Scattering Results", Phys. Rev. Lett. 82, 4719 (1999).