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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).
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