Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure
Abstract
Here, we describe how first principle calculations can play a key role in the interpretation of X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) spectra for a better understanding of emergent phenomena in condensed matter physics at high applied pressure. Eu compounds are used as case study to illustrate the advantages of this methodology, ranging from studies of electronic charge transfer probed by quadrupolar and dipolar contributions, to accurately determining electronic valence, and to inform about the influence of pressure on RKKY interactions and magnetism. This description should help advance studies where the pressure dependence of XANES and XMCD data must be tackled with the support of theoretical calculations for a proper understanding of the electronic properties of materials.
- Authors:
-
- Brazilian Synchrotron Light Lab. (LNLS), Campinas (Brazil)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Brazilian Synchrotron Light Lab. (LNLS), Campinas (Brazil); Univ. Estadual de Campinas (UNICAMP) (Brazil)
- Univ. Estadual de Campinas (UNICAMP) (Brazil)
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1337152
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- High Pressure Research
- Additional Journal Information:
- Journal Volume: 36; Journal Issue: 3; Journal ID: ISSN 0895-7959
- Publisher:
- Taylor & Francis
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; XANES; XMCD; first principle simulations; magnetism; x-ray spectroscopy
Citation Formats
Souza-Neto, N. M., Haskel, D., dos Reis, R. D., and Gandra, F. C. G. Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure. United States: N. p., 2016.
Web. doi:10.1080/08957959.2016.1212025.
Souza-Neto, N. M., Haskel, D., dos Reis, R. D., & Gandra, F. C. G. Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure. United States. https://doi.org/10.1080/08957959.2016.1212025
Souza-Neto, N. M., Haskel, D., dos Reis, R. D., and Gandra, F. C. G. Tue .
"Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure". United States. https://doi.org/10.1080/08957959.2016.1212025. https://www.osti.gov/servlets/purl/1337152.
@article{osti_1337152,
title = {Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure},
author = {Souza-Neto, N. M. and Haskel, D. and dos Reis, R. D. and Gandra, F. C. G.},
abstractNote = {Here, we describe how first principle calculations can play a key role in the interpretation of X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) spectra for a better understanding of emergent phenomena in condensed matter physics at high applied pressure. Eu compounds are used as case study to illustrate the advantages of this methodology, ranging from studies of electronic charge transfer probed by quadrupolar and dipolar contributions, to accurately determining electronic valence, and to inform about the influence of pressure on RKKY interactions and magnetism. This description should help advance studies where the pressure dependence of XANES and XMCD data must be tackled with the support of theoretical calculations for a proper understanding of the electronic properties of materials.},
doi = {10.1080/08957959.2016.1212025},
journal = {High Pressure Research},
number = 3,
volume = 36,
place = {United States},
year = {Tue Jul 26 00:00:00 EDT 2016},
month = {Tue Jul 26 00:00:00 EDT 2016}
}
Web of Science
Works referenced in this record:
A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo 2 As 2 (A = Eu and Ca)
journal, February 2016
- Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel
- Journal of the American Chemical Society, Vol. 138, Issue 8
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
journal, March 2001
- Joly, Y.
- Physical Review B, Vol. 63, Issue 12
A Theory of Metallic Ferro- and Antiferromagnetism on Zener's Model
journal, July 1956
- Kasuya, Tadao
- Progress of Theoretical Physics, Vol. 16, Issue 1
The quadrupolar contribution to x-ray magnetic circular dichroism in REZn compounds
journal, September 2008
- Galéra, R-M; Joly, Y.; Rogalev, A.
- Journal of Physics: Condensed Matter, Vol. 20, Issue 39
Magnetic coupling between nonmagnetic ions: in EuN and EuP
journal, November 2005
- Johannes, M. D.; Pickett, W. E.
- Physical Review B, Vol. 72, Issue 19
Exchange Coupling in Eu Monochalcogenides from First Principles
journal, May 2005
- Kunes, Jan; Ku, Wei; E. Pickett, Warren
- Journal of the Physical Society of Japan, Vol. 74, Issue 5
The valence of Eu under high pressure
journal, December 1986
- Röhler, Jürgen
- Physica B+C, Vol. 144, Issue 1
Reentrant Valence Transition in EuO at High Pressures: Beyond the Bond-Valence Model
journal, July 2012
- Souza-Neto, N. M.; Zhao, J.; Alp, E. E.
- Physical Review Letters, Vol. 109, Issue 2
The magnetic, optical, and transport properties of representatives of a class of magnetic semiconductors: The europium chalcogenides
journal, August 1986
- Mauger, A.; Godart, C.
- Physics Reports, Vol. 141, Issue 2-3
Exchange Mechanisms in Europium Chalcogenides
journal, May 1970
- Kasuya, T.
- IBM Journal of Research and Development, Vol. 14, Issue 3
Ferromagnetic Interactions in EuS and EuSe Studied by Neutron Diffraction at Pressures up to 20.5 GPa
journal, February 1998
- Goncharenko, I. N.; Mirebeau, I.
- Physical Review Letters, Vol. 80, Issue 5
Effect of hydrostatic pressure upon the magnetic transitions in the giant magnetocaloric compounds: X-ray magnetic circular dichroism study
journal, July 2007
- Tseng, Y. C.; Haskel, D.; Lang, J. C.
- Physical Review B, Vol. 76, Issue 1
Temperature-induced valence transition and associated lattice collapse in samarium fulleride
journal, October 2003
- Arvanitidis, J.; Papagelis, Konstantinos; Margadonna, Serena
- Nature, Vol. 425, Issue 6958
Antiferromagnetism. Theory of Superexchange Interaction
journal, July 1950
- Anderson, P. W.
- Physical Review, Vol. 79, Issue 2
X-ray circular dichroism and local magnetic fields
journal, February 1993
- Carra, Paolo; Thole, B. T.; Altarelli, Massimo
- Physical Review Letters, Vol. 70, Issue 5
X-Ray Magnetic Circular Dichroism of a Valence Fluctuating State in Eu at High Magnetic Fields
journal, July 2009
- Matsuda, Y. H.; Ouyang, Z. W.; Nojiri, H.
- Physical Review Letters, Vol. 103, Issue 4
Synchrotron x-ray spectroscopy studies of valence and magnetic state in europium metal to extreme pressures
journal, May 2012
- Bi, W.; Souza-Neto, N. M.; Haskel, D.
- Physical Review B, Vol. 85, Issue 20
Exchange Splitting and Charge Carrier Spin Polarization in EuO
journal, January 2002
- Steeneken, P. G.; Tjeng, L. H.; Elfimov, I.
- Physical Review Letters, Vol. 88, Issue 4
Epitaxial integration of the highly spin-polarized ferromagnetic semiconductor EuO with silicon and GaN
journal, September 2007
- Schmehl, Andreas; Vaithyanathan, Venu; Herrnberger, Alexander
- Nature Materials, Vol. 6, Issue 11
Bragg transmission phase plates for the production of circularly polarized x rays
journal, February 1995
- Lang, J. C.; Srajer, George
- Review of Scientific Instruments, Vol. 66, Issue 2
Indirect Exchange Coupling of Nuclear Magnetic Moments by Conduction Electrons
journal, October 1954
- Ruderman, M. A.; Kittel, C.
- Physical Review, Vol. 96, Issue 1
Bond-valence parameters for solids
journal, April 1991
- Brese, N. E.; O'Keeffe, M.
- Acta Crystallographica Section B Structural Science, Vol. 47, Issue 2
Magnetism of europium under extreme pressures
journal, May 2016
- Bi, W.; Lim, J.; Fabbris, G.
- Physical Review B, Vol. 93, Issue 18
Pressure-Induced Valence Change of Eu in Eu( ) : Collapse of Magnetic Order
journal, November 1985
- Abd-Elmeguid, M. M.; Sauer, Ch.; Zinn, W.
- Physical Review Letters, Vol. 55, Issue 22
Paramagnetism with anomalously large magnetic susceptibility in (fcc)-cobalt probed by x-ray magnetic circular dichroism up to 170 GPa
journal, May 2011
- Ishimatsu, Naoki; Kawamura, Naomi; Maruyama, Hiroshi
- Physical Review B, Vol. 83, Issue 18
Absorption of circularly polarized x rays in iron
journal, February 1987
- Schütz, G.; Wagner, W.; Wilhelm, W.
- Physical Review Letters, Vol. 58, Issue 7
Quantum Criticality Without Tuning in the Mixed Valence Compound -YbAlB4
journal, January 2011
- Matsumoto, Y.; Nakatsuji, S.; Kuga, K.
- Science, Vol. 331, Issue 6015
Magnetic Properties of Cu-Mn Alloys
journal, June 1957
- Yosida, Kei
- Physical Review, Vol. 106, Issue 5
Magnetic spectroscopy at high pressures using X-ray magnetic circular dichroism
journal, September 2008
- Haskel, Daniel; Tseng, Y. C.; Souza-Neto, N. M.
- High Pressure Research, Vol. 28, Issue 3
Pressure-Induced Electronic Mixing and Enhancement of Ferromagnetic Ordering in Eu ( , Se, S, O) Magnetic Semiconductors
journal, February 2009
- Souza-Neto, Narcizo M.; Haskel, Daniel; Tseng, Yuan-Chieh
- Physical Review Letters, Vol. 102, Issue 5
Strong Valence Fluctuation in the Quantum Critical Heavy Fermion Superconductor : A Hard X-Ray Photoemission Study
journal, June 2010
- Okawa, M.; Matsunami, M.; Ishizaka, K.
- Physical Review Letters, Vol. 104, Issue 24
Magnetic interactions in europium compounds
journal, April 1983
- Liu, L.
- Solid State Communications, Vol. 46, Issue 1
Quantum Critical End Point for the Kondo Volume Collapse Model
journal, October 2006
- Dzero, M.; Norman, M. R.; Paul, I.
- Physical Review Letters, Vol. 97, Issue 18
Soft x-ray magnetic circular dichroism study on Gd-doped thin films
journal, March 2006
- Ott, H.; Heise, S. J.; Sutarto, R.
- Physical Review B, Vol. 73, Issue 9
Pressure-volume relationship and pressure-induced electronic and structural transformations in Eu and Yb monochalcogenides
journal, March 1974
- Jayaraman, A.; Singh, A. K.; Chatterjee, A.
- Physical Review B, Vol. 9, Issue 6
Mixed-valence compounds
journal, April 1976
- Varma, C. M.
- Reviews of Modern Physics, Vol. 48, Issue 2
X-Ray Magnetic Circular Dichroism Measurements in Ni up to 200 GPa: Resistant Ferromagnetism
journal, November 2011
- Torchio, R.; Kvashnin, Y. O.; Pascarelli, S.
- Physical Review Letters, Vol. 107, Issue 23
Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database
journal, August 1985
- Brown, I. D.; Altermatt, D.
- Acta Crystallographica Section B Structural Science, Vol. 41, Issue 4
ODE: a new beam line for high-pressure XAS and XMCD studies at SOLEIL
journal, March 2011
- Baudelet, F.; Kong, Q.; Nataf, L.
- High Pressure Research, Vol. 31, Issue 1
High-pressure tuning of valence and magnetic interactions in Eu Yb Ga
journal, June 2012
- Loula, G. D.; dos Reis, R. D.; Haskel, D.
- Physical Review B, Vol. 85, Issue 24
Pressure-Induced Superconducting State of Europium Metal at Low Temperatures
journal, May 2009
- Debessai, M.; Matsuoka, T.; Hamlin, J. J.
- Physical Review Letters, Vol. 102, Issue 19