Adaptive Anderson mixing for electronic structure calculations
M. Novak, J. Vackar, R. Cimrman, and O. Sipr
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. Sipr
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-Si_6-zAl_zO_zN_8-z on the (Al,O) concentration z and on the temperature
S. Ayaz Khan, O. Sipr, J. Vackar, and and J. Minar
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. Sipr, S. Mankovsky, J. Vackar, 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. Minar, and O. Sipr
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. Sipr, 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. Minar, K. von Bergmann, R. Wiesendanger, and O. Sipr
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. Sipr, 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. Sipr, 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. Sipr, 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. Vondracek, P. Blaha, K. Horakova, J. Minar, O. Sipr, and V. Chab
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. Sipr, 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. Sipr, W. Khan, Y. Joly and J. Minar
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. Sipr, J. Vackar and J. Minar
Journal of Synchrotron Radiation, Vol. 25, Pt. 2, 525-528 (2018) (arXiv version)

Magnetic Dipole Term 𝑇_𝑧 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. Minar, H. Ebert, P. Blaha and O. Sipr
Physical Review B, Vol. 95, No. 1, 014408 (2017) (9 pages) (arXiv version)

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

Magnetocrystalline anisotropy of FePt: A detailed view
S. Ayaz Khan, P. Blaha, H. Ebert, J. Minar and O. Sipr
Physical Review B, Vol. 94, No. 14, 144436 (2016) (10 pages) (arXiv version)

Influence of spin-orbit coupling on the magnetic dipole term Tα
O. Sipr, J. Minar and H. Ebert
Physical Review B, Vol. 94, No. 14, 144406 (2016) (7 pages) (arXiv version)

Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers
O. Sipr, S. Mankovsky, S. Polesya, S. Bornemann, J. Minar and H. Ebert
Physical Review B, Vol. 93, No. 17, 174409 (2016) (13 pages) (arXiv version)

Local structure and magnetization of ferromagnetic Cu-doped ZnO films: No magnetism at the dopant?
P.S. Vachhani, O. Sipr, 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. Sipr, H. Ebert and J. Minar
J. Phys.: Condens. Matter, Vol. 27, No. 5, 056004 (2015) (8 pages) (arXiv version)

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. Sipr, 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. Sipr, S. Bornemann, H. Ebert, and J. Minar
J. Phys.: Condens. Matter, Vol. 26, No. 19, 196002 (2014) (12 pages) (arXiv version)

Co monolayers and adatoms on Pd(100), Pd(111), and Pd(110): Anisotropy of magnetic properties
O. Sipr, S. Bornemann, H. Ebert, S. Mankovsky, J. Vackar, and J. Minar
Physical Review B, Vol. 88, No. 5, 064411 (2013) (14 pages) (arXiv version)

Local structure and magnetism of Cu-doped ZnO via Cu K-edge XAS and XMCD: theory and experiment
O. Sipr, J. Vackar, 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 Sipr 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. Sipr, S. Mankovsky, S. Polesya, J. B. Staunton, W. Wurth, H. Ebert, and J. Minar
Physical Review B, Vol. 86, No. 10, 104436 (2012) (12 pages)

Multiple scattering theory for non-local and multichannel potentials
C. R. Natoli, P. Kruger, K. Hatada, K. Hayakawa, D. Sebilleau and O. Sipr
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. Sipr, J. Minar, A. Scherz, H. Wende and H. Ebert
Physical Review B, Vol. 84, No. 11, 115102 (2011) (9 pages) (arXiv version)

Zn K edge and O K edge x-ray absorption spectra of ZnO surfaces: implications for nanorods
O. Sipr 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. Sipr, 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. Sipr, J. Minar, 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. Sipr, S. Bornemann, J. Minar, 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. Sipr 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. Sipr, J. Minar, 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. Sipr, 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. Sipr, J. Minar, 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. Sipr, J. Minar, 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. Sipr and A. Simunek
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. Sipr, S. Polesya, J. Minar 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. Sipr, J. Minar, J. Vackar 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. Sipr, J. Minar, 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. Sipr, A. Simunek 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. Sipr, S. Bornemann, J. Minar, S. Polesya, V. Popescu, A. Simunek 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. Sipr, A. Simunek, J. Vackar, 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. Sipr, S. Bornemann, J. Minar 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. Sipr
Physical Review B, Vol. 73, No. 17, 174110 (2006) (12 pages)

Magnetic properties of Co clusters deposited on Pt(111)
J. Minar, S. Bornemann, O. Sipr, 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. Minar, S. Polesya, S. Mankovsky, H. Ebert and O. Sipr
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. Minar, M. Kosuth, O. Sipr, P.H. Dederichs, R. Zeller and I. Cabria
Phase Transitions, Vol. 78, No. 1-3, 71-83 (2005)

Theoretical Fe L_2,3- and K-edge x-ray magnetic circular dichroism spectra of free iron clusters
O. Sipr 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. Sipr 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. Sipr, J. Drahokoupil, P. Machek and A. Simunek
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. Sipr and F. Rocca
Physica Scripta, Vol. T115, 149-151 (2005)

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

Magnetic structure of iron clusters and iron crystal surfaces
O. Sipr, M. Kosuth 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. Sipr, P. Machek and A. Simunek
Physical Review B, Vol. 69, No. 15, 155115 (2004) (11 pages)

Ab-initio calculation of magnetic structure of small iron nanoclusters
O. Sipr, M. Kosuth 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. Sipr, 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. Sipr, 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. Sipr 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. Sipr, A. Simunek, S. Bocharov and G. Drager
Physical Review B, Vol. 66, No. 15, 155119 (2002) (8 pages) (arXiv version)

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

Interpretation of polarized Cu K x-ray absorption near-edge-structure spectra of CuO.
O. Sipr and A. Simunek
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. Sipr
Journal of Physics-Condensed Matter, Vol. 13, No. 19, 4291-4302 (2001)

Polarized Cu K edge XANES spectra of CuO - theory and experiment.
O. Sipr, and A. Simunek, 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. Sipr
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. Sipr, and A. Simunek
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. Sipr, A. Simunek, 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. Sipr, 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. Sipr, A. Simunek, 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. Sipr, J. Vackar and A. Simunek
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. Simunek and O. Sipr
Physical Review B, Vol. 58, No. 12, 7668-7674 (1998)

X-ray-absorption near-edge structure of CuGaSe₂ and ZnSe: Experiment and theory.
O. Sipr, P. Machek, A. Simunek, J. Vackar 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. Simunek, O. Sipr, 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. Sipr, J. Vackar and A. Simunek
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. Vackar and O. Sipr
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. Sipr, N. Pangher, L. Wilde, M. Polcik 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. Sipr, 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. Sipr, 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. Sipr, 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. Sipr
Journal of Physics-Condensed Matter, Vol. 4, No. 47, 9389-9400 (1992)

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

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

Finite-cluster multiple-scattering theory of x-ray bremsstrahlung isochromat spectra.
O. Sipr, J. Vackar, A. Simunek
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. Simunek, O. Sipr, J. Vackar
Physical Review Letters, Vol. 63, No. 19, 2076-2079 (1989)