Advanced Photon Source

An Office of Science National User Facility

CXS Publications

Publications by CXS group members, as of March 2017, are listed here. (Publications from the former Theory and Software group are listed below.
 
Publications 2015

Evolution of electronic structure across the RNiO3 series
J. W. Freeland, M. vanVeenendaal, and J. Chakhalian, accepted for publication in J. El. Spec. and Rel. Phenom.

Sr2Ir1-xRhxO4: an inhomogeneous jeff =1/2 Hubbard system
Shalinee Chikara, Daniel Haskel, Kang-Hwan Kim, Heung-Sik Kim, Cheng-Chien Chen, G. Fabbris,  L. S. I. Veiga, J. Terzic, K. Butrouna, N. M. Souza-Neto, G. Cao,  Myung Joon Han, andMichel van Veenendaal, accepted for publication in Phys. Rev. B Rapid Comm.

Origin of Strong Dispersion in Hubbard Insulators
Y. Wang, K. Wohlfeld, B. Moritz, M. van Veenendaal, K. Wu, C.-C. Chen, and T. P. Devereaux, Phys. Rev. B. 92, 075119 (2015).

Electronic structure, local magnetism and spin-orbit effects of novel Ir (IV), Ir (V), and Ir (VI)-based compounds
M. A. Laguna-Marco, P. Kayser, J. A. Alonso, M. J. Martinez-Lope, M. van Veenendaal, Y. Choi, and D. Haskel,  Phys. Rev. B. 91, 214433 (2015).

Mixed configuration ground state in Iron (II) Phtalocyanine
J. Fernández-Rodríguez, B. Toby, and M. van Veenendaal, Phys. Rev. B. 91, 214427 (2015).

Fragility of ferromagnetic double exchange interactions and pressure tuning of magnetism in 3d-5d double perovskite Sr2FeOsO6
L. S. I. Veiga, G. Fabbris, M. van Veenendaal, N. M. Souza-Neto, H. L. Feng, K. Yamaura, and D. Haskel, Phys. Rev. B. 91, 235135 (2015).

Xclaim: a graphical interface for the calculation of core-hole spectroscopies
J. Fernández-Rodríguez, B. Toby, and M. van Veenendaal, J. El. Spec. and Rel. Phenom. 202, 81 (2015).

Fractionalization, entanglement, and separation: understanding the collective excitations in a spin-orbital chain
C.-C. Chen, M van Veenendaal, T. P. Devereaux, and K. Wohlfeld, Phys. Rev. B. 91, 165102 (2015).

Spin chain in magnetic field: limitations of the large-N mean-field theory
K. Wohlfeld, C.-C. Chen, M. van Veenendaal, T. P. Devereaux, Acta Polonica A 127, 201 (2015).

The Ground State Wavefunction of Plutonium in PuSb as determined via X-ray Magnetic Circular Dichroism
M. Janoschek, D. Haskel, J. Fernandez-Rodriguez, M. van Veenendaal, Y. Choi, J. Rebizant, G. E. Lander, J.-X. Zhu, J. D. Thompson, and E. D. Bauer, Phys. Rev. B. 91, 035117 (2015).

Publications 2014

Momentum-dependenced in K-edge resonant inelastic X-ray scattering and its application to screening dynamics in CE-phase La0.5Sr1.5LaNiO4
T. F. Seman, X. Liu, J. P. Hill, M. van Veenendaal, and K. H. Ahn, Phys. Rev. B. 90, 045111 (2014).

Electronic structure of Sr2RhO4: interplay of ligand distortions, overall lattice anisotropy, and spin-obit interactions
V. M. Katukuri, K. Roszeitis, V. Yushankhai, A. Mitrushchenkov, H. Stoll, M. van Veenendaal, P. Fulde, J. van den Brink, and Liviu Hozoi, Inorganic Chemistry 53, 4833 (2014).

Fermi level density of states modulation without charge transfer in nickelate superlattices 
M. J. Han and M. van Veenendaal, J. Phys. C. 26, 145501 (2014).

A novel high-pressure monoclinic metallic phase of V2O3
Y. Ding, C.-C. Chen, Q. Zeng, H.-S. Kim, M. J. Han, M. Balasubramanian, R. Gordon, F. Li, L. Bai, D. Popov, S. M. Heald, T. Gog, H. Mao, and M. van Veenendaal, Phys. Rev. Lett. 112, 056401 (2014); Editor’s Selection.

Why scientists should learn to program in Python
V. M. Ayer, S. Miguez, Sheila, and B. H. Toby, Powder Diffraction 29, S48(2014).

What's new in GSAS-II
B. H. Toby and R. B. Von Dreele, Powder Diffraction 29, S2(2014).

Powder diffraction crystallography: Why you need this and how Argonne helps
B. H. Toby, M. R. Suchomel, and R. B. Von Dreele, Abstracts of Papers of the American Chemical Society 247, 28-INOR (2014).

Scanning CCD Detector for X-ray Powder Diffraction
T. Madden, J. Baldwin, Baldwin, R. Von Dreele, M.  Suchomel, and B. H. Toby, Journal of Physics Conference Series 493, 012016(2014).

Small-angle scattering data analysis in GSAS-II
R. B. Von Dreele, J. Appl. Crystallography 47, 1784 (2014).

Publications 2013

Effective orbital symmetry of CuO: Examination by non-resonant inelastic x-ray scattering
W. B. Wu, N. Hiraoka, D. J. Huang, S. W. Huang, K. D. Tsuei, M. van Veenendaal, L. Hozoi, J. van den Brink, Y. Sekio, and T. Kimura, Phys. Rev. B. 88, 205129 (2013).

Strain modulated Mott transition in EuNiO3 ultra-thin films
D. Meyers, S. Middey, M. Kareev, M. van Veenendaal, E. J. Moon, B. A. Gray, J. Liu, J. W. Freeland, and J. Chakhalian, Phys. Rev. B 88, 075116 (2013).

Ultrafast photoinduced insulator-to-metal transitions in vanadium dioxide
M. van Veenendaal, Phys. Rev. B 87, 235118 (2013).

Strongly momentum-dependent screening dynamics in orbital ordered La0.5Sr1.5LaNiO4
X. Liu, T. F. Seman, K. H. Ahn, M. van Veenendaal, D. Casa D. Prabhakaran, A. T. Boothroyd, and J. P. Hill, Phys. Rev. B Rapid Comm. 87, 201103 (2013).

Powder diffraction: what's in a name?
Robert B. Von Dreele, Acta Cryst. 69, 1431 (2013).

A scanning CCD detector for powder diffraction measurements
B. H. Toby, T. J. Madden, M. R. Suchomel, J. D. Baldwin and R. B. Von Dreele, J. Appl. Cryst. 46, 1058 (2013).

GSAS-II : the genesis of a modern open-source all-purpose crystallography software package
Brian H. Toby and Robert B. Von Dreele, J. Appl. Cryst. 46, 544 (2013).

High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin
Irene Margiolaki, Anastasia E. Giannopoulou, Jonathan P. Wright, Lisa Knight, Mathias Norrman, Gerd Schluckebier, Andrew N. Fitch and Robert B. Von Dreele, Acta Cryst. D69, 978 (2013).

Texture – An Overview
R. B. Von Dreele, Ch 22 in “Uniting Electron Crystallography and Powder Diffraction”, Eds. U. Kolb, K. Shankland, L. Meshi, A. Avilov & W. David, Springer:Dordrecht (2012).

Publications 2012

Ultrafast X-ray spectroscopy as a probe of nonequilibrium dynamics in ruthenium complexes
J. Chang, A. J. Fedro, and M. van Veenendaal, Chem. Phys. 407, 65 (2012).

Spin ordering mediated orbital hybridization in CoO at high pressure
Y. Ding, J. Fernandez-Rodriguez, J. Kim, F. Lei, D. Casa, M. Upton, T. Gog, H. Mao, and M. van Veenendaal, Phys. Rev. B. 86, 094107 (2012).

Magnetic Resonant Inelastic X-ray Scattering
J. van den Brink and M. van Veenendaal, Synchrotron Radiation News 25, 29 (2012).

Pressure-tuning of spin-orbit coupled ground state in Sr2IrO4
D. Haskel, G. Fabbris, M. Zhernenkov, K. Panpan, C. Jin, G. Cao, and M. van Veenendaal, Phys. Rev. Lett. 109, 027204 (2012).

Spin-moment formation and reduced orbital polarization in LaNiO3/ LaAlO3 superlattices: LDA+U study
M. J. Han and M. van Veenendaal, Phys. Rev. B. 85, 195102 (2012).

Magnetic excitation spectra of Sr2Ir2O4 probed by resonant inelastic x-ray scattering: establishing links to cuprate superconductors
J. H. Kim, D. Casa, M. H. Upton, T. Gog, Y.-J. Kim, J. F. Mitchell, M. van Veenendaal, M. Daghofer, J. van den Brink, G. Khaliullin, and B. J. Kim, Phys. Rev. Lett. 108, 177003 (2012).

Publications 2011

Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study
M. J. Han and M. van Veenendaal, Phys. Rev. B 84, 125137 (2011).

Stability of ferromagnetic ground state against large compressive stress in magnetodielectric oxide La2MnNiO6
D. Haskel, G. Fabbris, N. M. Souza-Neto, M. van Veenendaal, G. Shen, A. E. Smith, and M. A. Subramanian, Phys. Rev. B 84, 100403(R) (2011).

Addressing the amorphous content issue in quantitative phase analysis: the certification of NIST standard reference material 676a
J. P. Cline, R. B. Von Dreele, R. Winburn, P. W. Stephens, and J. J. Fillibena, Acta. Cryst. A67, 357 (2011).

Determining the electron-phonon-coupling strength in correlated electron systems from resonant inelastic x-ray scattering
L. J. P. Ament, M. van Veenendaal, and J. van den Brink, Europhys Lett. 95, 27008 (2011).

Resonant inelastic x-ray scattering studies of elementary excitations
L. J. P. Ament, M. van Veenendaal, T. P. Devereaux, J. P. Hill, and J. van den Brink, Rev. Mod. Phys. 83, 705 (2011).

3j Symbols: To normalize or not to normalize?
M. van Veenendaal, Eur. J. Phys. 32, 947 (2011).

Quantum confinement of Mott electrons in ultrathin LaNiO3/LaAlO3  superlattice
J. Liu, S. Okamoto, M. van Veenendaal, M. Kareev, B. Gray, P. Ryan, J. W. Freeland, and J. Chakhalian, Phys. Rev. Rapid Commun. 83, 161102 (2011) (Editor’s Selection).

Ferromagnetic quantum critical point induced by dimer-breaking in SrCo2(Ge1-xPx)2
S. Jia, P. Jiramongkolchai, M. R. Suchomel, B. H. Toby, J. G. Checkelsky, N. P. Ong, and R. J. Cava, Nature Phys. 7, 207 (2011).

Observation of dd excitations via 4p-3d Coulomb scattering in transition-metal K-edge resonant inelastic x-ray scattering
M. van Veenendaal, X. Liu, M. H. Carpenter, and S. P. Cramer, Phys. Rev. B. 83, 045101 (2011).

Publications 2010

High-pressure synthesis, crystal and electronic structures of a new scandium tungstate, Sc0.67WO4
T. V. Varga, J. F. Mitchell, J. Wang, L. G. Arnold, B. Toby, and C.D. Malliakas , Journal of Solid State Chemistry 183, 1567 (2010).

Orbital magnetism and spin-orbit effects in the electronic structure of BaIrO3
M. A. Laguna-Marco, D. Haskel, N. Souza-Neto, V. V. Krishnamurthy, S. Chikara, G. Cao, and M. van Veenendaal, Phys. Rev. Lett. 105, 216407 (2010).

Observation of phonons with resonant inelastic x-ray scattering
H. Yavas, M. van Veenendaal, J. van den Brink, L. J. P. Ament, A. Alatas, B. M. Leu, M.-O. Apostu, Nadia Wizent, Gunter Behr, W. Sturhahn, E. E. Alp, Harald Sinn, J. Phys.: Cond. Mat. 22, 485601 (2010).

Theoretical design of high-brightness photocathodes based on ultra-thin surface layers on metals and on nanostructures
K. Németh, K. C. Harkay, M. van Veenendaal, L. Spentzouris, M. White, K. Attenkofer, and G. Srajer, AIP Conf. Proc. 1299, 522 (2010).

Observations on online educational materials for powder diffraction crystallography software
B. H. Toby, Journal of Applied Crystallography 43, 1271 (2010).

Ultrafast cascading theory in intersystem crossings in transition-metal complexes
J. Chang, A. J. Fedro, and M. van Veenendaal, Phys. Rev B. 82, 075124 (2010).

The choice of internal coordinates in complex chemical systems
K. Nemeth, M. Challacombe, and M. van Veenendaal, J. Computational Chem. 31, 2078 (2010).

Trace correcting density matrix extrapolation in self-consistent geometry optimization
A. M. N. Niklasson, M. Challacombe, C. J. Tymczak, and K. Németh, J. Chem. Phys. 132, 124104 (2010).

Fast intersystem crossing in transition-metal compounds
M. van Veenendaal, J. Chang, and A. J. Fedro, Phys. Rev. Lett. 104, 067401 (2010).

High brightness photocathodes through ultra-thin surface layers on metals
K. Nemeth, K. C. Harkay, M. van Veenendaal, L. Spentzouris, M. White, K. Attenkofer, and G. Srajer, Phys. Rev. Lett. 104, 046801 (2010).

Publications 2009

Pressure-induced magnetic transition in manganite (La0.75 Ca0.25MnO3)
Y. Ding, D. Haskel, Y.-C. Tseng, E. Kaneshita, M. van Veenendaal, J. F. Mitchell, S. V. Sinogeigin, V. Prakapenka, and H. Mao, Phys. Rev. Lett. 102, 237201 (2009).

External gates and transport in biased bilayer graphene
D. Culcer and R. Winkler, Phys. Rev. B 79, 165422 (2009).

Current-induced spin torques in III-IV ferromagnetic semiconductors
D. Culcer, M. E. Lucassen, R. A. Duine, and R. Winkler, Phys. Rev. B 79, 155208 (2009).

Non-zero orbital moment in high coercivity e- Fe2O3 and low temperature collapse of the magneto-crystalline anisotropy
Y. C. Tseng, N. M. Souza-Neto, D. Haskel, M. Gich, C. Frontera, A. Roig, M. van Veenendaal, J. Nogués, Phys. Rev. B. 79, 094404 (2009).

Thermally or magnetically induced polarization reversal in the multiferroic CoCr2O4
Y. J. Choi, J. Okamoto, D. J. Huang, K. S. Chao, H. J. Lin, C. T. Chen, M. van Veenendaal, T. A. Kaplan, and S.-W. Cheong, Phys. Rev. Lett. 102, 067601 (2009).

Dynamics and spectral weights of shake-up valence excitations in transition metal K-edge resonant inelastic x-ray scattering
K. H. Ahn, A.J. Fedro, and Michel van Veenendaal, Phys. Rev. B. 79, 045103 (2009).

Publications 2008

Weak momentum scattering and the conductivity of graphene
D. Culcer and R. Winkler, Phys. Rev. B 78, 235417 (2008)

Anomalous ground states at the interface between two transition-metal compounds
M. van Veenendaal, Phys. Rev. B 78, 165415 (2008).

Magnetic Linear Dichroism Probed by High Momentum Resolution EELS
Y. Ito, N.J Zaluzec, A.N. Chiaramonti, R.E. Cook, M. van Veenendaal, D.J. Miller, Microscopy and Microanalysis 14(Suppl. 2), 1366 (2008)

Effective operator for dd transition in nonresonant inelastic x-ray scattering
M. van Veenendaal and M. Haverkort, Phys. Rev. B. 77, 224107 (2008)

Publications 2007

Steady states of spin distributions in the presence of spin-orbit interactions
D. Culcer and R. Winkler, Phys. Rev. B, 76, 245322 (2007)

Orbital reconstruction and covalent bonding at an oxide interface
J. Chakhalian, J. W. Freeland, H.-U. Habermeier, G. Cristiani, G. Khaliullin, M. van Veenendaal, and B. Keimer, Science 318, 114 (2007)

Generation of spin currents and spin densities in systems with reduced symmetry
D. Culcer and R.Winkler, Phys. Rev. Lett. 99, 226601 (2007)

Spin polarization decay in spin-1/2 and spin-3/2 systems
D. Culcer and R. Winkler, Phys. Rev. B 76, 195204 (2007)

Prediction of strong dichroism induced by x-rays carrying orbital momentum
M. van Veenendaal and I. McNulty, Phys. Rev. Lett. 98 , 157401 (2007)

Publications 2006

Haskel and van Veenendaal Reply
D. Haskel and M. van Veenendaal, Phys. Rev. Lett. 97 , 259702 (2006)

Photoinduced magnetism caused by charge-transfer excitations in teracyanoethylene-based organic magnets
S. Erdin and M. van Veenendaal, Phys. Rev. Lett. 97 , 247202 (2006)

Spin precession and alternating spin polarization in spin-3/2 hole systems
D. Culcer, C Lechner and R. Winkler, Phys. Rev. Lett. 97, 106601 (2006)

Competition between screening channel in core-level photoemission as a probe of changes in ground-state properties
M. van Veenendaal, Phys. Rev. B 74, 085118 (2006)

Vortex chain states in a ferromagnet/superconductor bilayer
S. Erdin, Phys. Rev. B 73, 224506 (2006)

 Model for strain-induced multiphase coexistence in colossal magnetoresistive perovskite manganites
K. H. Ahn, T. Lookman, and A. R. Bishop, J. Appl. Phys. 99, 08A703 (2006)

Modelling of TiO2 Nanoparticles
A. S. Barnard, S. Erdin, Y. Lin, P. Zapol and J.W. Halley, Phys. Rev. B 73, 205405 (2006)

Polarization dependence of L- and M-edge resonant inelastic x-ray scattering on transition-metal compounds
M. van Veenendaal, Phys. Rev. Lett. 96, 117404 (2006)

Correlation functions measured by resonant inelastic x-ray scattering
J. van den Brink and M. van Veenendaal, Europhys. Lett. 21, 121 (2006)

Publications 2005

Theory of indirect resonant inelastic x-ray scattering
J. van den Brink and M. van Veenendaal, , J. Phys. Chem. Solids 66, 2145 (2005)

Atomic origin of magneto-crystalline anisotropy in Nd2Fe14B
D. Haskel, J. C. Lang, Z. Islam, A. Cady, G. Srajer, M. van Veenendaal, and Paul Canfield, Phys. Rev. Lett. 95 , 217207 (2005)

Fine structure in the quadrupolar transition of the Ho L 3 pre-edge observed by lifetime-broadening-surpressed XANES spectroscopy
H. Hayashi, M. Kawata, A. Sato, Y. Udagawa, T. Inami, K. Ishii, H. Ogasawara, and S. Nanao, Phys. Rev. B. 72, 045114 (2005)

London study of vortex states in a superconducting film due to a magnetic dot
S. Erdin, Phys. Rev. B 72, 014522 (2005)

Coherent optical and acoustic phonon generation correlated with the charge-ordering phase transition in La1-xCaxO3
D. Lim, V. K. Thorsmølle, R. D. Averitt, Q. X. Jia, K. H. Ahn, M. J. Graf, S. A. Trugman, and A. J. Taylor, Phys Rev. B, 71, 134403 ( 2005 )
Publications 2004

Spin Polarization in CrO2: Competition between quasiparticle and local-moment behavior
Michel van Veenendaal and A. J. Fedro, Phys. Rev. B 70, 012412 (2004) 

Soft resonant x-ray scattering study of magnetic and orbital correlations in a manganite near half-doping
K. J. Thomas, J. P. Hill, Y.-J. Kim, S. Grenier, P. Abbamonte, L. Venema, A. Rusydi, Y. Tomioka, Y. Tokura, D. McMorrow, G. A. Sawatzky, and M. van Veenendaal, Phys. Rev. Lett. 92, 237204 (2004)

Comment on “Correlation Effects in Resonant Inelastic X-ray Scattering of of NaV2O5
M. van Veenendaal and A. J. Fedro, Phys. Rev. Lett. 92, 219701 (2004)

Temperature dependent magnetic linear dichroism by momentum-resolved EELS
Y. Ito, Y. Murooka, R.E. Cook, M. van Veenendaal, N. Menon, and D.J. Miller, Microscopy and Microanalysis 10(Suppl. 2), 834 (2004)

Spin polarization in half-metallic CrO2
M. van Veenendaal and A. J. Fedro, Microscopy and Microanalysis 10(Suppl. 2), 848 (2004)

Polarization dependence of X-ray emission spectroscopy
H. Ogasawara, K. Fukui, and M. Matsubara, J. El. Spec. 136, 161 (2004)

Publications 2003

Nanometer scale magnetic linear dichroism by EELS
Y. Ito, M. van Veenendaal, R. E. Cook, N. Menon, B. D. Armstrong, and D. J. Miller, Microscopy and Microanalysis 9 Suppl. 2, 314 (2003)

Combined analytical and Monte-Carlo approach to statisticalCoulomb blurring.
M. van Veenendaal, J. of Appl. Phys. 93, 6381 (2003)

Resonant x-ray magnetic scattering at nonmagnetic ions
M. van Veenendaal, Phys. Rev. B 67, 134112 (2003)

Other Publications

Charge order and the metal-insulator transitions in A1/2A'1/2MnO3.
M. van Veenendaal and A. J. Fedro, Phys. Rev. B 59, 15 056 (1999)

Magnetic circular dichroism in resonant Raman scattering in the perpendicular geometry at the L-edge of 3d transition-metal systems.
L. Braichovich, G. van der Laan, G. Ghiringhelli, A. Tagliaferri, M. van Veenendaal, N. B. Brookes, M. M. Chervinskii, C. Dallera, B. Michelis, and H. A. Dürr, Phys. Rev. Lett. 82, 1566 (1999)

Influence of double occupancy and lattice distortions on the magnetic phase diagram of A1/2A'1/2MnO3
M. van Veenendaal and A. J. Fedro, Phys. Rev. B 59, 1285 (1999)

X-ray absorption and resonant inelastic X-ray scattering in the rare earths.
M. van Veenendaal and R. Benoist, Phys. Rev. B 58, 3741 (1998)

Comment on "Spin polarization and magnetic circular dichroism in photoemission from the 2p core level of ferromagnetic Ni".
N. Manini, M. van Veenendaal, and M. Altarelli, Phys. Rev. Lett. 79, 2594 (1997)

Resonant soft X-ray inelastic scattering from Gd in the Gd3Ga5O12 garnet with excitation across the M5 edge.
C. Dallera, L. Braichovich, G. Ghiringhelli, M. van Veenendaal, J. B. Goedkoop, and N. B. Brookes, Phys. Rev. B 56, 1279 (1997)

X-ray L2,3 resonant Raman scattering from NiO: spin flip and intermediate-state relaxation.
L. Braichovich, C. Dallera, G. Ghiringhelli, N. B. Brookes, J. B. Goedkoop, and M. A. van Veenendaal, Phys. Rev. B 55, R15 989 (1997)

Excitons and resonant inelastic X-ray scattering in graphite.
M. van Veenendaal and P. Carra, Phys. Rev. Lett. 78, 2839 (1997)

Branching ratios of the circular dichroism at rare earth L23 edges.
M. van Veenendaal, J. B. Goedkoop, and B. T. Thole, Phys. Rev. Lett. 78, 1162 (1997)

X-ray resonant Raman scattering in the rare earths.
M. van Veenendaal, P. Carra, and B. T. Thole, Phys. Rev. B 54, 16 010 (1996)

Polarized X-ray fluorescence as a probe of ground state properties.
M. van Veenendaal, J. B. Goedkoop, and B. T. Thole, Phys. Rev. Lett. 77, 1508 (1996)

Strong nonlocal contributions to Cu 2p photoelectron spectroscopy.
M. A. van Veenendaal, H. Eskes, and G. A. Sawatzky, Phys. Rev. B 47, 11462 (1993).

Nonlocal screening effects in 2p X-ray photoemission spectroscopy core-level line shapes of transition metal compounds.
M. A. van Veenendaal and G. A. Sawatzky, Phys. Rev. Lett. 70, 2459 (1993)

Band gap, excitons, and Coulomb interaction in solid C60.
R. W. Lof, M. A. van Veenendaal, B. Koopman, H. T. Jonkman, and G. A. Sawatzky, Phys. Rev. Lett. 68, 3924 (1992)