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Seznam publikací Ondřeje Šipra

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Adaptive Anderson mixing for electronic structure calculations
M. Novák, J. Vackář, R. Cimrman, and O. Šipr
Computer Physics Communications Vol. 292, 108865 (2023)
The implementation of the algorithm available as Open Source.

X-ray linear dichroism: dependence of XAFS on the orientation of the sample with respect to the incoming radiation Spectra.
O. Šipr
International Tables for Crystallography
In: C.T. Chantler, F. Boscherini, B. Bunker (eds): Volume I: X-ray absorption spectroscopy and related techniques. (2022)

Dependence of the electronic structure of β-Si6-zAlzOzN8-z on the (Al,O) concentration z and on the temperature
S. Ayaz Khan, O. Šipr, J. Vackář, and and J. Minár
Z. anorg. allg. Chem., Vol. 648, e202200185 (2022) (arXiv version)

Temperature-induced changes in the magnetism of Laves phase rare-earth-iron intermetallics by ab initio calculations
O. Šipr, S. Mankovsky, J. Vackář, H. Ebert, and A. Marmodoro
Physical Review B, Vol. 106, 144416 (2022) (arXiv version)

Electric field control of magnons in magnetic thin films: Ab initio predictions for two-dimensional metallic heterostructures
A. Marmodoro, S. Mankovsky, H. Ebert, J. Minár, and O. Šipr
Physical Review B, Vol. 105, 174411 (2022) (arXiv version)

Effect of lattice excitations on transient near-edge x-ray absorption spectroscopy
N. Rothenbach, M. E. Gruner, K. Ollefs, C. Schmitz-Antoniak, S. Salamon, P. Zhou, R. Li, M. Mo, S. Park, X. Shen, S. Weathersby, J. Yang, X. J. Wang, O. Šipr, H. Ebert, K. Sokolowski-Tinten, R. Pentcheva, U. Bovensiepen, A. Eschenlohr, and H. Wende
Physical Review B, Vol. 104, 144302 (2021) (arXiv version)

Spin-spiral state of a Mn monolayer on W(110) studied by soft x-ray absorption spectroscopy at variable temperature
J. Honolka, S. Krotzky, M. Herzog, T. Herden, V. Sessi, H. Ebert, J. Minár, K. von Bergmann, R. Wiesendanger, and O. Šipr
Physical Review B, Vol. 103, 174419 (2021) (arXiv version)

First-principles calculations of steady-state voltage-controlled magnetism: Application to x-ray absorption spectroscopy experiments
A. Marmodoro, S. Wimmer, O. Šipr, M. Ogura, and H. Ebert
Physical Review Research, Vol. 2, 032067(R) (2020)

Assessing different approaches to ab initio calculations of spin wave stiffness
O. Šipr, S. Mankovsky, and H. Ebert
Physical Review B, Vol. 101, 134409 (2020) (arXiv version)

Transport properties of doped permalloy via ab initio calculations: Effect of host disorder
O. Šipr, S. Wimmer, S. Mankovsky, and H. Ebert
Physical Review B, Vol. 101, 085109 (2020) (arXiv version)

Local geometry around B atoms in B/Si(111) from polarized x-ray absorption spectroscopy
S. Ayaz Khan, M. Vondráček, P. Blaha, K. Horáková, J. Minár, O. Šipr, and V. Cháb
J. Phys.: Condens. Matter, Vol. 32, No. 4, 045901 (2020) (7 pages) (arXiv version)

Spin wave stiffness and exchange stiffness of doped permalloy via ab initio calculations
O. Šipr, S. Mankovsky, and H. Ebert
Physical Review B, Vol. 100, 024435 (2019) (arXiv version)

Ca and S K-edge XANES of CaS calculated by different methods: influence of full potential, core hole and Eu doping
O. Šipr, W. Khan, Y. Joly and J. Minár
Journal of Synchrotron Radiation, Vol. 26, 152-158 (2019) (arXiv version)

Finite lifetime broadening of calculated X-ray absorption spectra: possible artefacts close to the edge
O. Šipr, J. Vackář and J. Minár
Journal of Synchrotron Radiation, Vol. 25, Pt. 2, 525-528 (2018) (arXiv version)

Magnetic Dipole Term 𝑇𝑧 and its Importance for Analysing XMCD Spectra.
O. Šipr
In: D. Sébilleau, K. Hatada, H. Ebert (eds): Multiple Scattering Theory for Spectroscopies. Springer Proceedings in Physics, vol. 204 (2018), pp. 387-398.

KKR Green’s Function Method in Reciprocal and Real Space.
J. Minár, O. Šipr, J. Braun, H. Ebert
In: D. Sébilleau, K. Hatada, H. Ebert (eds): Multiple Scattering Theory for Spectroscopies. Springer Proceedings in Physics, vol. 204 (2018), pp. 93-142.

Local environment effects in the magnetic properties and electronic structure of disordered FePt
S. Ayaz Khan, J. Minár, H. Ebert, P. Blaha and O. Šipr
Physical Review B, Vol. 95, No. 1, 014408 (2017) (9 pages) (verze na arXivu)

Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)2CuCl4
O. Šipr, J. Vackář and A. Kuzmin
Journal of Synchrotron Radiation, Vol. 23, No. 6, 1433-1439 (2016) (verze na arXivu)

Magnetocrystalline anisotropy of FePt: A detailed view
S. Ayaz Khan, P. Blaha, H. Ebert, J. Minár and O. Šipr
Physical Review B, Vol. 94, No. 14, 144436 (2016) (10 pages) (verze na arXivu)

Influence of spin-orbit coupling on the magnetic dipole term Tα
O. Šipr, J. Minár and H. Ebert
Physical Review B, Vol. 94, No. 14, 144406 (2016) (7 pages) (verze na arXivu)

Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers
O. Šipr, S. Mankovsky, S. Polesya, S. Bornemann, J. Minár and H. Ebert
Physical Review B, Vol. 93, No. 17, 174409 (2016) (13 pages) (verze na arXivu)

Local structure and magnetization of ferromagnetic Cu-doped ZnO films: No magnetism at the dopant?
P.S. Vachhani, O. Šipr, A.K. Bhatnagar, R.K. Ramamoorthy, R.J. Choudhary, D.M. Phase, G. Dalba, A. Kuzmin and F. Rocca
Journal of Alloys and Compounds, Vol. 678, 304-311 (2016)

Trends in the magnetism of free Rh clusters via relativistic ab-initio calculations
O. Šipr, H. Ebert, and J. Minár
J. Phys.: Condens. Matter, Vol. 27, No. 5, 056004 (2015) (8 pages) (verze na arXivu)

Single 3d transition metal atoms on multi-layer graphene systems: electronic configurations, bonding mechanisms and role of the substrate
V. Sessi, S. Stepanow, A.N. Rudenko, S. Krotzky, K. Kern, F. Hiebel, P. Mallet, J.-Y. Veuillen, O. Šipr, J. Honolka, N.B. Brookes
New J. Phys., Vol. 16, 062001 (2014) (11 pages)

Magnetocrystalline anisotropy energy for adatoms and monolayers on non-magnetic substrates: where does it come from?
O. Šipr, S. Bornemann, H. Ebert, and J. Minár
J. Phys.: Condens. Matter, Vol. 26, No. 19, 196002 (2014) (12 pages) (verze na arXivu)

Co monolayers and adatoms on Pd(100), Pd(111), and Pd(110): Anisotropy of magnetic properties
O. Šipr, S. Bornemann, H. Ebert, S. Mankovsky, J. Vackář, and J. Minár
Physical Review B, Vol. 88, No. 5, 064411 (2013) (14 pages) (verze na arXivu)

Local structure and magnetism of Cu-doped ZnO via Cu K-edge XAS and XMCD: theory and experiment
O. Šipr, J. Vackář, P. S. Vachhani, R. K. Ramamoorthy, G. Dalba, A. K. Bhatnagar and F. Rocca,
J. Phys.: Conf. Ser., Vol. 430, 012128 (2013) (6 pages)

Cu doped ZnO pellets: study of structure and Cu specific magnetic properties
P  S Vachhani, G Dalba, R K Ramamoorthy, F Rocca, O Šipr and A K Bhatnagar
J. Phys.: Condens. Matter, Vol. 24, No. 50, 506001 (2012) (7 pages)

Trends in the magnetic properties of Fe, Co, and Ni clusters and monolayers on Ir(111), Pt(111), and Au(111)
S. Bornemann, O. Šipr, S. Mankovsky, S. Polesya, J. B. Staunton, W. Wurth, H. Ebert, and J. Minár
Physical Review B, Vol. 86, No. 10, 104436 (2012) (12 pages)

Multiple scattering theory for non-local and multichannel potentials
C. R. Natoli, P. Krüger, K. Hatada, K. Hayakawa, D. Sébilleau and O. Šipr
J. Phys.: Condens. Matter, Vol. 24, No. 36, 365501 (2012) (20 pages)

Many-body effects in x-ray absorption and magnetic circular dichroism spectra within the LSDA+DMFT framework
O. Šipr, J. Minár, A. Scherz, H. Wende and H. Ebert
Physical Review B, Vol. 84, No. 11, 115102 (2011) (9 pages) (verze na arXivu)

Zn K edge and O K edge x-ray absorption spectra of ZnO surfaces: implications for nanorods
O. Šipr and F. Rocca
J. Phys.: Condens. Matter, Vol. 23, No. 31, 315501 (2011) (6 pages)

Finite-temperature magnetism of FexPd1−x and CoxPt1−x alloys
S. Polesya, S. Mankovsky, O. Šipr, W. Meindl, C. Strunk, and H. Ebert
Physical Review B, Vol. 82, No. 21, 214409 (2010) (10 pages)

Intrinsic orbital and spin magnetism in Rh clusters on inert xenon matrices
V. Sessi, K. Kuhnke, J. Zhang, J. Honolka, K. Kern, C. Tieg, O. Šipr, J. Minár, and H. Ebert
Physical Review B, Vol. 82, No. 18, 184413 (2010) (5 pages)

Magnetic anisotropy of Fe and Co adatoms and monolayers: Need for a proper treatment of the substrate
O. Šipr, S. Bornemann, J. Minár, and H. Ebert
Physical Review B, Vol. 82, No. 17, 174414 (2010) (8 pages)

Electronic structure effects on B K-edge XANES of minerals
O. Šipr and F. Rocca
Journal of Synchrotron Radiation, Vol. 17, No. 3, 367-373 (2010)

On the importance of the magnetic dipole term Tz in analyzing X-ray magnetic circular dichroism spectra of clusters
O. Šipr, J. Minár, and H. Ebert
Europhysics Letters, Vol. 87, No. 6, 67007 (2009) (6 pages)

On the origin of the differences in the Cu K-edge XANES of isostructural and isoelectronic compounds
O. Šipr, F. Rocca, and P. Fornasini
J. Phys.: Condens. Matter, Vol. 21, No. 25, 255401 (2009) (9 pages)

Magnetism of free and supported clusters: a comparative study
O. Šipr, J. Minár, and H. Ebert
Central European Journal of Physics, Vol. 7, No. 2, 257-263 (2009)

Influence of composition, many-body effects, spin-orbit coupling, and disorder on magnetism of Co-Pt solid-state systems
O. Šipr, J. Minár, S. Mankovsky and H. Ebert
Physical Review B, Vol. 78, No. 14, 144403 (2008) (12 pages)

Element-specific gap in the p states for ternary semiconductors CuGaSe2 and ZnGeAs2 via alignment of x-ray emission and x-ray absorption spectra
J. Drahokoupil, O. Šipr and A. Šimůnek
J. Phys. Condens. Matter Vol. 20, No. 15, 155206 (2008) (6 pages)

Influence of temperature on the systematics of magnetic moments of free Fe clusters
O. Šipr, S. Polesya, J. Minár and H. Ebert
J. Phys. Condens. Matter Vol. 19, No. 44, 446205 (2007) (10 pages)

Influence of interdiffusion on the magnetic moments in Co/Au multilayers
O. Šipr, J. Minár, J. Vackář and H. Ebert
Physical Review B, Vol. 75, No. 13, 134422 (2007) (10 pages)

XMCD Spectra of Co Clusters on Au(111) by Ab-Initio Calculations
O. Šipr, J. Minár, S. Bornemann and H. Ebert
AIP Conference Proceedings Vol. 882, February 2007, 159-161

B K-Edge XANES of Superstructural Units in Borate Glasses
O. Šipr, A. Šimůnek and F. Rocca
AIP Conference Proceedings Vol. 882, February 2007, 446-448

Magnetic moments, exchange coupling, and crossover temperatures of Co clusters on Pt(111) and Au(111)
O. Šipr, S. Bornemann, J. Minár, S. Polesya, V. Popescu, A. Šimůnek and H. Ebert
J. Phys. Condes. Matter Vol. 19, No. 9, 096203 (2007) (21 pages)

Connection between spectral features of B K edge XANES of minerals and the local structure
O. Šipr, A. Šimůnek, J. Vackář, G. Dalba and F. Rocca
Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B, Vol. 47, No. 4, 412-418 (2006)

Magnetic properties of free Fe clusters at finite temperatures from first principles
S. Polesya, O. Šipr, S. Bornemann, J. Minár and H. Ebert
Europhysics Letters, Vol. 74, No. 6, 1074-1080 (2006)

X-ray absorption spectroscopy of strongly disordered glasses: local structure around Ag ions in g-Ag2O.nB2O3
A. Kuzmin, G. Dalba, P. Fornasini, F. Rocca and O. Šipr
Physical Review B, Vol. 73, No. 17, 174110 (2006) (12 pages)

Magnetic properties of Co clusters deposited on Pt(111)
J. Minár, S. Bornemann, O. Šipr, S. Polesya and H. Ebert
Applied Physics A, Vol. 82, No. 1, 139-144 (2006)

Magnetic properties of Co clusters deposited on Pt(111) and Au(111)
S. Bornemann, J. Minár, S. Polesya, S. Mankovsky, H. Ebert and O. Šipr
Phase Transitions, Vol. 78, No. 9-11, 701-709 (2005)

Electronic and magnetic properties of free and supported transition metal clusters
H. Ebert, S. Bornemann, J. Minár, M. Košuth, O. Šipr, P.H. Dederichs, R. Zeller and I. Cabria
Phase Transitions, Vol. 78, No. 1-3, 71-83 (2005)

Theoretical Fe L2,3- and K-edge x-ray magnetic circular dichroism spectra of free iron clusters
O. Šipr and H. Ebert
Physical Review B, Vol. 72, No. 13, 134406 (2005) (11 pages)

Size- and site-dependence of XMCD spectra of iron clusters from ab-initio calculations
O. Šipr and H. Ebert
Physica Scripta, Vol. T115, 110-112 (2005)

Similarities and differences between XANES spectra at analogous edges of ternary semiconductors CuGaSe2, ZnGeAs2 and CuFeS2
O. Šipr, J. Drahokoupil, P. Machek and A. Šimůnek
Physica Scripta, Vol. T115, 179-181 (2005)

XANES and EXAFS Modelling of Configurational Disorder in Silver Borate Glasses
G. Dalba, P. Fornasini, A. Kuzmin, F. Monti, A. Sanson, O. Šipr and F. Rocca
Physica Scripta, Vol. T115, 149-151 (2005)

Magnetic structure of free iron clusters compared to iron crystal surfaces
O. Šipr, M. Košuth and H. Ebert
Physical Review B, Vol. 70, No. 17, 174423 (2004) (13 pages)

Magnetic structure of iron clusters and iron crystal surfaces
O. Šipr, M. Košuth and H. Ebert
Surface Science Vol. 566-568 Part 1, 268-271 (2004)

Cu, Fe, and S K- and L-edge XANES spectra of CuFeS2: Localization and interpretation of pre-peak states
O. Šipr, P. Machek and A. Šimůnek
Physical Review B, Vol. 69, No. 15, 155115 (2004) (11 pages)

Ab-initio calculation of magnetic structure of small iron nanoclusters
O. Šipr, M. Košuth and H. Ebert
Journal of Magnetism and Magnetic Materials Vol. 272-276 Part 1, 713-714 (2004)

Ordered and disordered models of local structure around Ag cations in silver borate glasses based on x-ray absorption near-edge structure spectroscopy
O. Šipr, G. Dalba and F. Rocca
Physical Review B, Vol. 69, No. 13, 134201 (2004) (16 pages)

The local structure around Ag cations in silver borate glasses studied by XANES
O. Šipr, F. Rocca and G. Dalba
Phys. Chem. Glasses Vol. 44, No. 3, 252 (2003)
(You may try also this link or a general access to the Ingenta Select collection. The journal is published by Society of Glass Technology.)

Bulk and surface effects in x-ray magnetic circular dichroism of iron clusters.
O. Šipr and H. Ebert
Czechoslovak Journal of Physics, Vol. 53, No. 1, 55 (2003)
Another link to the journal page

Polarized x-ray absorption spectra of CuGeO3 at the Cu and Ge K edges.
O. Šipr, A. Šimůnek, S. Bocharov and G. Drager
Physical Review B, Vol. 66, No. 15, 155119 (2002) (8 pages) (verze na arXivu)

Spatial distribution of photoelectrons participating in formation of x-ray absorption spectra.
O. Šipr
Physical Review B, Vol. 65, No. 20, 205115 (2002) (11 pages) (verze na arXivu)

Interpretation of polarized Cu K x-ray absorption near-edge-structure spectra of CuO.
O. Šipr and A. Šimůnek
Journal of Physics-Condensed Matter, Vol. 13, No. 37, 8519-8525 (2001)
Please note that there is a print error in the hard-copy version of this paper (a figure is missing). The official electronic version of the paper which is available on-line has been corrected.

Site dependence of the local density of unoccupied states - an aid for understanding trends in x-ray absoprtion fine structure.
O. Šipr
Journal of Physics-Condensed Matter, Vol. 13, No. 19, 4291-4302 (2001)

Polarized Cu K edge XANES spectra of CuO - theory and experiment.
O. Šipr, and A. Šimůnek, S. Bocharov, Th. Kirchner, G. Dräger
J. Synchrotron Rad., Vol. 8, No. 3, 235-237 (2001)

Probability density of wave function of excited photoelectron: Understanding XANES features.
O. Šipr
J. Synchrotron Rad., Vol. 8, No. 3, 232-234 (2001)

Dipole and quadrupole contributions to polarized Cu K x-ray absorption near-edge structure spectra of CuO.
S. Bocharov, Th. Kirchner, G. Dräger, O. Šipr, and A. Šimůnek
Physical Review B, Vol. 63, No. 3, 045104 (2001)

Geometric and electronic structure effects in polarized V K-edge absorption near-edge structure spectra of V2O5.
O. Šipr, A. Šimůnek, S. Bocharov, Th. Kirchner and G.Dräger
Physical Review B, Vol. 60, No. 20, 14115-14127 (1999)

Real-space multiple-scattering analysis of Ag L1- and L3-edge XANES spectra of Ag2O.
O. Šipr, F. Rocca and G. Dalba
J. Synchrotron Rad., Vol. 6, No. 3, 770-772 (1999)

Polarized XANES spectra of titanium dichalcogenides - experiment and theory.
O. Šipr, A. Šimůnek, S. Bocharov, D. Heumann and G. Dräger
J. Synchrotron Rad., Vol. 6, No. 3, 518-520 (1999)

Electronic structure of silicon nitride.
R. Nietubyc, E. Sobczak, O. Šipr, J. Vackář and A. Šimůnek
Journal of Alloys and Compounds, Vol. 286, 148-152 (1999)

Polarized x-ray absorption spectra of TiS2, TiSe2, and TiTe2.
S. Bocharov, G. Dräger, D. Heumann, A. Šimůnek and O. Šipr
Physical Review B, Vol. 58, No. 12, 7668-7674 (1998)

X-ray-absorption near-edge structure of CuGaSe2 and ZnSe: Experiment and theory.
O. Šipr, P. Machek, A. Šimůnek, J. Vackář and J. Horak
Physical Review B, Vol. 56, No. 20, 13151-13161 (1997)

Unoccupied electron states of TiS2 studied by means of polarized x-ray absorption.
A. Šimůnek, O. Šipr, S. Bocharov, D. Heumann and G. Drager
Physical Review B, Vol. 56, No. 19, 12232-12237 (1997)

BIS study of silicon nitride: Experiment and theory.
R. Nietubyc, E. Sobczak, O. Šipr, J. Vackář and A. Šimůnek
Journal de Physique IV (France), Vol. 7, Colloq. C2, C2-583-C2-584 (1997)

Partial probabilities of x-ray Bremsstrahlung transitions.
R. Nietubyc, E. Sobczak E, A. S. Nek, J. Vackář and O. Šipr
Acta Physica Polonica A, Vol. 91, No.5, 841-846 (1997)

Multiple-scattering-theory analysis of XANES spectra of SO2 adsorbed on Cu(100).
O. Šipr, N. Pangher, L. Wilde, M. Polčík and J. Haase
Czechoslovak Journal of Physics, Vol. 47, No. 4, 467-471 (1997)

Andreev and normal reflections at normal metal - superconductor boundaries: Limitations of the semiclassical approximation.
O. Šipr, B. L. Gyorffy
Journal of Low Temperature Physics, Vol. 106, Nos. 3/4, 315-320 (1997)

Interpretation of bound states in inhomogeneous superconductors: the role of Andreev scattering.
O. Šipr, B. L. Gyorffy
Journal of Physics-Condensed Matter, Vol. 8, No. 2, 169-191 (1996)

Oscillatory magnetic coupling between metallic multilayers across superconducting spacers.
O. Šipr, B. L. Gyorffy
Journal of Physics-Condensed Matter, Vol. 7, No. 27, 5239-5269 (1995)

Real-space multiple-scattering analysis of x-ray absorption near-edge K-spectra of Cu2O and CuO.
O. Šipr
Journal of Physics-Condensed Matter, Vol. 4, No. 47, 9389-9400 (1992)

Angle dependence of matrix-elements in x-ray bremsstrahlung isochromat spectroscopy.
O. Šipr
Journal of Physics-Condensed Matter, Vol. 3, No. 43, 8503-8510 (1991)

Integration of free free radiative-transition matrix-elements.
J. Vackář, A. Šimůnek, O. Šipr
Computer Physics Communications, Vol. 66, No. 2-3, 259-265 (1991)

Finite-cluster multiple-scattering theory of x-ray bremsstrahlung isochromat spectra.
O. Šipr, J. Vackář, A. Šimůnek
Physical Review B, Vol. 44, No. 10, 4832-4842 (1991)

Real-space, multiple-scattering-theory method for the calculation of x-ray bremsstrahlung isochromat spectra.
A. Šimůnek, O. Šipr, J. Vackář
Physical Review Letters, Vol. 63, No. 19, 2076-2079 (1989)



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