Angular dependence of X-ray absorption spectra, Journal of Physics: Condensed Matter, vol.2, issue.3, p.701, 1990. ,
DOI : 10.1088/0953-8984/2/3/018
URL : https://hal.archives-ouvertes.fr/hal-00652329
Gauge invariant formulation of the interaction of electromagnetic radiation and matter, American Journal of Physics, vol.46, issue.6, p.624, 1978. ,
DOI : 10.1119/1.11264
Gauge transformations, Foldy-Wouthuysen transformations and conservation of energy, Journal of Physics A: Mathematical and General, vol.15, issue.2, p.437, 1982. ,
DOI : 10.1088/0305-4470/15/2/016
Fine Structure of the Hydrogen Atom. III, Physical Review, vol.75, issue.2, p.259, 1952. ,
DOI : 10.1103/PhysRev.75.1645
Gauge invariance and relativistic radiative transitions, Journal of Physics B: Atomic and Molecular Physics, vol.7, issue.12, p.1458, 1974. ,
DOI : 10.1088/0022-3700/7/12/007
Gauge invariance and radiative transition probabilities, Journal of Physics B: Atomic and Molecular Physics, vol.8, issue.12, p.1999, 1975. ,
DOI : 10.1088/0022-3700/8/12/011
URL : http://digitalcommons.unl.edu/cgi/viewcontent.cgi?article=1159&context=physicsstarace
On the ??4 law in microscopic theories of inelastic light scattering, Solid State Communications, vol.19, issue.1, p.57, 1976. ,
DOI : 10.1016/0038-1098(76)91728-2
Gauge invariance and pseudoperturbations, Physical Review A, vol.79, issue.4, p.1553, 1979. ,
DOI : 10.1007/978-3-642-99600-9
On the gauge invariance of transition probabilities, Chemical Physics Letters, vol.65, issue.3, p.417, 1979. ,
DOI : 10.1016/0009-2614(79)80262-6
Choice of gauge and multiphoton transitions, Journal of Physics B: Atomic and Molecular Physics, vol.12, issue.3, p.93, 1979. ,
DOI : 10.1088/0022-3700/12/3/005
Interaction of Schr??dinger electrons and photons, Physical Review A, vol.40, issue.4, p.1541, 1979. ,
DOI : 10.1103/PhysRevLett.40.538
Questions of gauge and basis sets for the representation of electromagnetic interactions in quantum mechanics, Physical Review D, vol.15, issue.12, p.3095, 1979. ,
DOI : 10.1103/PhysRevD.15.1063
Gauge-invariant non-relativistic limit of an electron in a time-dependent electromagnetic field, Journal of Physics A: Mathematical and General, vol.13, issue.10, p.3171, 1980. ,
DOI : 10.1088/0305-4470/13/10/014
Gauge invariant interpretation of multiphoton transition probabilities, Journal of Physics B: Atomic and Molecular Physics, vol.13, issue.18, p.3613, 1980. ,
DOI : 10.1088/0022-3700/13/18/013
Power operator in quantum mechanics, Physical Review D, vol.64, issue.8, p.1927, 1982. ,
DOI : 10.1016/0375-9601(77)90360-7
Gauge-invariant time-dependent perturbation theory. I. Non-degenerate case, Journal of Physics A: Mathematical and General, vol.15, issue.4, p.1201, 1982. ,
DOI : 10.1088/0305-4470/15/4/023
Gauge invariance and gauge independence of the S-matrix in nonrelativistic quantum mechanics and relativistic quantum field theories, Annals of Physics, vol.142, issue.1, p.80, 1982. ,
DOI : 10.1016/0003-4916(82)90229-9
Gauge-invariant time-dependent perturbation theory. II. degenerate case, Journal of Physics A: Mathematical and General, vol.16, issue.5, p.919, 1983. ,
DOI : 10.1088/0305-4470/16/5/012
On gauge invariance in quantum transition amplitudes, Journal of Physics B: Atomic and Molecular Physics, vol.17, issue.3, p.59, 1984. ,
DOI : 10.1088/0022-3700/17/3/001
Comment on K.-H. Yang's energy operator and gauge independent transition amplitudes, Journal of Physics A: Mathematical and General, vol.17, issue.5, p.1157, 1984. ,
DOI : 10.1088/0305-4470/17/5/036
The physical significance of gauge independence and gauge covariance in quantum mechanics, Journal of Physics A: Mathematical and General, vol.17, issue.1, p.151, 1984. ,
DOI : 10.1088/0305-4470/17/1/017
Gauge transformation of the time-evolution operator, Physical Review A, vol.16, issue.2, p.952, 1985. ,
DOI : 10.1088/0305-4470/16/5/012
On the gauge invariance of linear response theory, Journal of Physics A: Mathematical and General, vol.19, issue.16, p.3443, 1986. ,
DOI : 10.1088/0305-4470/19/16/039
Superluminal, advanced and retarded propagation of electromagnetic potentials in quantum mechanics, Annals of Physics, vol.168, issue.1, p.104, 1986. ,
DOI : 10.1016/0003-4916(86)90112-0
Gauge invariance of the energy shift of a bound electron in an electromagnetic field, Journal of Physics A: Mathematical and General, vol.20, issue.10, p.2813, 1987. ,
DOI : 10.1088/0305-4470/20/10/024
Matter-field interaction in atomic physics and quantum optics, Physical Review A, vol.20, issue.6, p.2763, 1987. ,
DOI : 10.1103/PhysRevA.20.1567
A simple model of atomic collision in the presence of an intense radiation field: A comparison test for gauge invariant vs. conventional quantum transition probabilities, Zeitschrift f???r Physik D Atoms, Molecules and Clusters, vol.79, issue.1, p.63, 1988. ,
DOI : 10.1007/BF01384525
Quantum gauge equivalence in QED, Foundations of Physics, vol.98, issue.2, p.217, 1994. ,
DOI : 10.1007/BF02313123
URL : http://arxiv.org/pdf/hep-th/9306008
Charged particles, gauge invariance, and molecular electrodynamics, International Journal of Quantum Chemistry, vol.94, issue.5, p.531, 1999. ,
DOI : 10.1080/00268979809482333
Equality of length-form and velocity-form transition amplitudes in relativistic many-body perturbation theory, Physical Review A, vol.65, issue.5, p.52506, 2000. ,
DOI : 10.1088/0031-8949/1996/T65/007
Why semiclassical electrodynamics is not gauge invariant, Journal of Physics A: Mathematical and General, vol.33, issue.50, p.9165, 2000. ,
DOI : 10.1088/0305-4470/33/50/303
URL : http://arxiv.org/pdf/1606.05421
On gauge invariance and molecular electrodynamics Advanced Problems and Complex Systems, New Trends in Quantum Systems in Chemistry and Physics. of Progress in Theoretical Chemistry and Physics, 1999. ,
DOI : 10.1007/0-306-46950-2_1
Equivalence of interaction hamiltonians in the electric dipole approximation, Journal of Modern Optics, vol.61, issue.8, p.1137, 2004. ,
DOI : 10.1103/PhysRev.163.147
On the gauge of the natural lineshape, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.46, issue.14, p.145505, 2013. ,
DOI : 10.1088/0953-4075/46/14/145505
Atoms and molecules in intense laser fields: gauge invariance of theory and models, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.46, issue.15, p.153001, 2013. ,
DOI : 10.1088/0953-4075/46/15/153001
Gauge-invariant expectation values of the energy of a molecule in an electromagnetic field, The Journal of Chemical Physics, vol.144, issue.4, p.44109, 2016. ,
DOI : 10.1088/0953-4075/46/17/175601
Gauge Theories of Gravitation ,
Quantum Mechanics: Foundations and Applications, 1993. ,
DOI : 10.1007/978-3-662-01168-3
Comment on K-H Yang's energy operator and gauge independent transition amplitudes, Journal of Physics A: Mathematical and General, vol.18, issue.14, p.2859, 1985. ,
DOI : 10.1088/0305-4470/18/14/035
Generalized gauge independence and the physical limitations on the von Neumann measurement postulate, Foundations of Physics, vol.19, issue.919, p.1263, 1986. ,
DOI : 10.1103/PhysRevA.20.1553
Gauge invariance, time-dependent Foldy-Wouthuysen transformations, and the Pauli Hamiltonian, Physical Review D, vol.15, issue.4, p.1063, 1977. ,
DOI : 10.1103/PhysRevD.15.426
Gauge-independent minimal electromagnetic coupling, Physical Review D, vol.115, issue.6, p.1388, 1983. ,
DOI : 10.1103/PhysRev.115.485
The Quantum Theory of Fields. I Foundations, 1995. ,
Covariant Operator Formalism of Gauge Theories and Quantum Gravity, World Scientific, vol.27, 1990. ,
DOI : 10.1142/0362
Perturbative Quantum Electrodynamics and Axiomatic Field Theory, 2000. ,
DOI : 10.1007/978-3-662-04297-7
An Introduction to Non-Perturbative Foundations of Quantum Field Theory ,
DOI : 10.1093/acprof:oso/9780199671571.001.0001
Renormalization, Diagrams, and Gauge Invariance, Physical Review D, vol.6, issue.12, p.2877, 1970. ,
DOI : 10.1007/BF02832514
Gauge invariance properties of transition amplitudes in gauge theories. I, International Journal of Theoretical Physics, vol.1, issue.7, p.787, 1988. ,
DOI : 10.1007/BF02730406
A systematic study of finite BRST-BV transformations in field???antifield formalism, International Journal of Modern Physics A, vol.17, issue.29, p.1450166, 2014. ,
DOI : 10.1063/1.529145
Brouder: Gauge invariance of absorption and scattering ,
Field-dependent BRST???anti-BRST Lagrangian transformations, International Journal of Modern Physics A, vol.17, issue.04n05, p.1550021, 2015. ,
DOI : 10.1142/S0217732395002817
Quantum Mechanics of Gauge Fixing, Annals of Physics, vol.233, issue.1, p.17, 1994. ,
DOI : 10.1006/aphy.1994.1059
Gauge invariance of quantum electrodynamics in the causal approach to renormalization theory, Annalen der Physik, vol.28, issue.6-7, p.439, 2001. ,
DOI : 10.1063/1.1666601
Gauge independence of the fermion pole mass, Physical Review D, vol.113, issue.8, p.85012, 2013. ,
DOI : 10.1016/j.physletb.2013.02.036
Subsidiary Condition in Quantum Electrodynamics, Physical Review, vol.91, issue.5, p.1749, 1968. ,
DOI : 10.1103/PhysRev.91.398
Renormalization Constants, Wave Functions, and Energy Shifts in the Coulomb and Lorentz Gauges, Physical Review D, vol.88, issue.8, p.1498, 1970. ,
DOI : 10.1103/PhysRev.88.53
Catastrophic Events and Gauge Invariance, Physical Review Letters, vol.171, issue.6, p.245, 1969. ,
DOI : 10.1103/PhysRev.171.1749
Theory of the soft-x-ray edge problem in simple metals: historical survey and recent developments, Reviews of Modern Physics, vol.1, issue.4, p.929, 1990. ,
DOI : 10.1103/PhysRevB.1.1522
Charge transfer satellites in x-ray spectra of transition metal oxides, Physical Review B, vol.89, issue.8, p.85123, 2014. ,
DOI : 10.1103/PhysRevB.63.045104
Relativistic Quantum Theory of Atoms and Molecules, 2007. ,
DOI : 10.1007/978-0-387-35069-1
The Hamiltonian of Quantum Electrodynamics, Quantum Electrodynamics and Quantum Optics, pp.41-61, 1984. ,
DOI : 10.1007/978-1-4613-2783-7_5
The Quantum Theory of Radiation, 1984. ,
Many-Body Green Function of Degenerate Systems, Physical Review Letters, vol.62, issue.23, p.230401, 2009. ,
DOI : 10.1103/PhysRevD.65.025009
URL : https://hal.archives-ouvertes.fr/hal-00394238
Linear polarizabilities of two- and three-level atoms, Physical Review A, vol.39, issue.4, p.43835, 2008. ,
DOI : 10.1002/9783527617197
Derivation of the Feynman-Dyson Rules from Time-Independent Theory, Physical Review, vol.79, issue.1, p.196, 1955. ,
DOI : 10.1103/PhysRev.79.469
Quantum Field Theory of Point Particles and Strings, 1992. ,
Relativistic Quantum Mechanics, 1998. ,
DOI : 10.1017/CBO9780511622755
Relativistic Calculations of Transition Amplitudes in the Helium Isoelectronic Sequence, Advances in Atomic, Molecular, and Optical Physics, vol.35, pp.255-329, 1995. ,
DOI : 10.1016/S1049-250X(08)60165-2
Extension of the Siegert theorem for photon emission, Physical Review C, vol.86, issue.3, p.34306, 2012. ,
DOI : 10.1007/s00601-011-0266-1
On the Dirac Theory of Spin 1/2 Particles and Its Non-Relativistic Limit, Physical Review, vol.118, issue.1, p.29, 1950. ,
DOI : 10.1098/rspa.1928.0076
Relativistic Quantum Mechanics, 2000. ,
General properties of the Foldy-Wouthuysen transformation and applicability of the corrected original Foldy-Wouthuysen method, Physical Review A, vol.2, issue.2, p.22108, 2016. ,
DOI : 10.1016/j.cplett.2008.09.068
Advanced Modern Physics, Theoretical Foundations (World Scientific, 2010. ,
DOI : 10.1142/7555
edge, Physical Review B, vol.20, issue.10, p.7334, 1996. ,
DOI : 10.1007/978-3-642-97029-0
URL : https://hal.archives-ouvertes.fr/hal-00421973
ExcitationsélectroniquesExcitationsélectroniques et magnétisme des matériaux: calcul ab initio de l'absorption X et du dichro¨?smedichro¨?sme circulaire magnétique au seuil K, 2009. ,
Elements of Modern X-Ray Physics, 2000. ,
DOI : 10.1002/9781119998365
Ambiguity, Physical Review Letters, vol.15, issue.19, p.1042, 1977. ,
DOI : 10.1103/PhysRevD.15.426
Magnetic effects in anomalous dispersion, in Resonant Anomalous X-Ray Scattering, pp.495-512, 1994. ,
The Electromagnetic Properties of Dirac Particles, Physical Review, vol.76, issue.5, p.688, 1952. ,
DOI : 10.1103/PhysRev.76.790
Theory of magnetic circular dichroism of nonresonant x-ray Raman scattering, Physical Review B, vol.24, issue.9, p.94441, 2015. ,
DOI : 10.1103/PhysRevB.81.125121
private communication 127. R. Loudon, The Quantum Theory of Light, 2000. ,
Quantum Mechanics of Oneand Two-Electron Atoms, 1977. ,
The Compton effect as one path to QED, Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics, vol.33, issue.2, p.211, 2002. ,
DOI : 10.1016/S1355-2198(02)00005-9
Advanced Quantum Mechanics, 1967. ,
Spin-Strukturen und Dirac-OperatorenüberOperatoren¨Operatorenüber pseudoriemannschen Mannigfaltigkeiten, 1981. ,
Foldy-Wouthuysen Transformation. Exact Solution with Generalization to the Two-Particle Problem, Physical Review, vol.92, issue.3, p.1011, 1958. ,
DOI : 10.1103/PhysRev.92.1310
Foundations of Time Series Analysis and Prediction Theory, 2001. ,
Undergraduate Graduate Texts in Mathematics, 1987. ,
DYNAMICAL LOCALIZATION OF RANDOM QUANTUM WALKS ON THE LATTICE, XVIIth International Congress on Mathematical Physics, pp.486-94 ,
DOI : 10.1142/9789814449243_0046
URL : https://hal.archives-ouvertes.fr/hal-00954347
The Schrödinger Equation, 1991. ,
Higher-order effective Hamiltonian for light atomic systems, Physical Review A, vol.167, issue.1, p.12503, 2005. ,
DOI : 10.1088/0953-4075/33/13/305
URL : http://arxiv.org/pdf/physics/0411168
Delta???function identities and electromagnetic field singularities, American Journal of Physics, vol.57, issue.5, p.455, 1989. ,
DOI : 10.1119/1.16001
Vollmers, 3 C. G. Delpy-Laplanche, 1 Y. Joly, 4 A. Juhin, 1 Ph, Sainctavit, 1 Ch. Brouder, 1 M. Calandra, 1 L. Paulatto, 1 F. Mauri, 5 and U. Gerstmann 3 ,
Magnetic circular dichroism in the hard X-ray range, The Physics of Metals and Metallography, vol.432, issue.4, p.1285, 2015. ,
DOI : 10.1038/nature03139
X-ray circular dichroism as a probe of orbital magnetization, Physical Review Letters, vol.42, issue.12, p.1943, 1992. ,
DOI : 10.1103/PhysRevB.42.2707
X-ray circular dichroism and local magnetic fields, Physical Review Letters, vol.41, issue.5, p.694, 1993. ,
DOI : 10.1007/978-1-4613-3141-4
sedges, Physical Review B, vol.75, issue.6, p.3663, 1997. ,
DOI : 10.1103/PhysRevLett.75.152
Exploring the microscopic origin of magnetic anisotropies with X-ray magnetic circular dichroism (XMCD) spectroscopy, Journal of Magnetism and Magnetic Materials, vol.200, issue.1-3, p.470, 1999. ,
DOI : 10.1016/S0304-8853(99)00407-2
Ferromagnetic moment and antiferromagnetic coupling in (Ga,Mn)As thin films, Physical Review B, vol.92, issue.6, p.64418, 2005. ,
DOI : 10.1016/S0038-1098(97)00178-6
X-ray absorption spectroscopy and x-ray magnetic circular dichroism simultaneous measurements under high pressure: the iron bcc???hcp transition case, Journal of Physics: Condensed Matter, vol.17, issue.11, p.957, 2005. ,
DOI : 10.1088/0953-8984/17/11/028
URL : https://hal.archives-ouvertes.fr/hal-00019937
Pressure-induced collapse of ferromagnetism in cobalt up to 120 GPa as seen via x-ray magnetic circular dichroism, Physical Review B, vol.84, issue.6, p.60403, 2011. ,
DOI : 10.1103/PhysRevB.83.180409
Strong magneto-chiral dichroism in a paramagnetic molecular helix observed by hard X-rays, Nature Physics, vol.27, issue.1, p.69, 2015. ,
DOI : 10.1021/ic00283a018
X-ray natural circular dichroism in a uniaxial gyrotropic single crystal of LiIO3, The Journal of Chemical Physics, vol.20, issue.15, p.6394, 1998. ,
DOI : 10.1016/0921-4526(94)00897-5
-quartz, Physical Review B, vol.85, issue.19, p.195107, 2002. ,
DOI : 10.1103/PhysRevLett.85.2613
compounds, Physical Review B, vol.45, issue.7, p.75102, 2009. ,
DOI : 10.1103/PhysRevB.72.224503
URL : https://hal.archives-ouvertes.fr/hal-00651374
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, Journal of Physics: Condensed Matter, vol.21, issue.39, p.395502, 2009. ,
DOI : 10.1088/0953-8984/21/39/395502
URL : https://hal.archives-ouvertes.fr/hal-00717147
First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge, Physical Chemistry Chemical Physics, vol.28, issue.21, p.5619, 2010. ,
DOI : 10.2138/am-1997-7-811
URL : https://hal.archives-ouvertes.fr/hal-00977994
A relativistic theory of X-ray absorption by spin-polarized targets, Zeitschrift f???r Physik B Condensed Matter, vol.17, issue.1, p.77, 1988. ,
DOI : 10.1007/BF01312157
Solid State Commun, 1996. ,
elements and its relation to local magnetic structure, Physical Review B, vol.69, issue.2, p.818, 1993. ,
DOI : 10.1063/1.347895
A first-principles theory of X-ray Faraday effects, Journal of Physics: Condensed Matter, vol.6, issue.7, p.1409, 1994. ,
DOI : 10.1088/0953-8984/6/7/012
What does the K-edge x-ray magnetic circular dichroism spectrum tell us?, Journal of Physics: Condensed Matter, vol.8, issue.49, p.747, 1996. ,
DOI : 10.1088/0953-8984/8/49/005
-edge x-ray magnetic circular dichroism spectra of free iron clusters, Physical Review B, vol.115, issue.13, p.134406, 2005. ,
DOI : 10.1103/PhysRevB.25.4412
edge, Physical Review B, vol.20, issue.10, p.7334, 1996. ,
DOI : 10.1007/978-3-642-97029-0
URL : https://hal.archives-ouvertes.fr/hal-00421973
Use of general potentials in multiple-scattering theory, Physical Review A, vol.131, issue.6, p.4682, 1986. ,
DOI : 10.1016/0370-1573(86)90147-X
Self-consistency, spin-orbit and other advances in the FDMNES code to simulate XANES and RXD experiments, Journal of Physics: Conference Series, vol.190, p.12007, 2009. ,
DOI : 10.1088/1742-6596/190/1/012007
URL : https://hal.archives-ouvertes.fr/hal-00984645
-edge spectra, Physical Review B, vol.96, issue.8, p.85123, 2017. ,
DOI : 10.1063/1.1712084
Rashba splitting and relativistic energy shifts in In/Si(111) nanowires, Physical Review B, vol.2, issue.16, p.165431, 2014. ,
DOI : 10.1103/PhysRevB.62.16900
Theoretical approaches to x-ray absorption fine structure, Reviews of Modern Physics, vol.21, issue.209, p.621, 2000. ,
DOI : 10.1103/PhysRevA.21.1561
First-principles calculation of x-ray absorption-edge structure in molecular clusters, Physical Review A, vol.56, issue.3, p.1104, 1980. ,
DOI : 10.1063/1.1677895
Relativistic multiple scattering theory of K-edge X-ray magnetic circular dichroism, Journal of Electron Spectroscopy and Related Phenomena, vol.129, issue.1, p.55, 2003. ,
DOI : 10.1016/S0368-2048(02)00307-9
Dynamical effects in x-ray spectra and the final-state rule, Physical Review B, vol.1, issue.8, p.5150, 1982. ,
DOI : 10.1103/PhysRevB.1.471
Projector augmented-wave method, Physical Review B, vol.44, issue.24, p.17953, 1994. ,
DOI : 10.1103/PhysRevB.44.13063
A technique for relativistic spin-polarised calculations, Journal of Physics C: Solid State Physics, vol.10, issue.16, p.3107, 1977. ,
DOI : 10.1088/0022-3719/10/16/019
URL : http://yjsy.xmu.edu.cn/CN/Uploads/888fab9b-b2e3-4571-90f1-d8313174c5bd/WebWork/02jpc10-3107-spin-RDFT.pdf
First-principles theory of orbital magnetization, Physical Review B, vol.81, issue.6, p.60409, 2010. ,
DOI : 10.1016/0375-9601(92)90206-2
Tensor in Solids: Defects in Quartz, Physical Review Letters, vol.83, issue.8, p.86403, 2002. ,
DOI : 10.1021/j100489a030
X-ray Magnetic Circular Dichroism: Historical Perspective and Recent Highlights, pp.71-93, 2006. ,
DOI : 10.1007/3-540-33242-1_4
Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.80, issue.18, p.3865, 1996. ,
DOI : 10.1063/1.446965
edges, Physical Review B, vol.84, issue.20, p.205105, 2013. ,
DOI : 10.1088/0953-8984/2/3/018
Solution of systems of linear equations by minimized iterations, Journal of Research of the National Bureau of Standards, vol.49, issue.1, p.33, 1952. ,
DOI : 10.6028/jres.049.006
X-ray absorption spectra: K-edges of 3d transition metals, L-edges of 3d and 4d metals, and M-edges of palladium, Solid State Communications, vol.42, issue.5, p.365, 1982. ,
DOI : 10.1016/0038-1098(82)90154-5
Theory of solid-state contributions to the x-ray elastic scattering amplitude, Physical Review B, vol.108, issue.4, p.2437, 2000. ,
DOI : 10.1063/1.476046
Angular dependence of X-ray absorption spectra, Journal of Physics: Condensed Matter, vol.2, issue.3, p.701, 1990. ,
DOI : 10.1088/0953-8984/2/3/018
URL : https://hal.archives-ouvertes.fr/hal-00652329
Absorption of circularly polarized x rays in iron, Physical Review Letters, vol.32, issue.16, p.737, 1987. ,
DOI : 10.1103/PhysRevB.32.7148
edge of nickel and iron, Physical Review B, vol.71, issue.24, p.17820, 1994. ,
DOI : 10.1103/PhysRevLett.71.3581
Ab initio calculations of X-ray magnetic circular dichroism spectra within the projector augmented wave method: An implementation into the VASP code, Computer Physics Communications, vol.207, p.136, 2016. ,
DOI : 10.1016/j.cpc.2016.05.022
Experimental Confirmation of the X-Ray Magnetic Circular Dichroism Sum Rules for Iron and Cobalt, Physical Review Letters, vol.42, issue.1, p.152, 1995. ,
DOI : 10.1103/PhysRevB.42.4544
intermetallics and its relationship with the magnetism of the rare earth, Physical Review B, vol.80, issue.14, p.144419, 2009. ,
DOI : 10.1088/0305-4608/16/5/012
Reference X-ray Spectra of Metal Foils, El Cerro Blvd, vol.871, 1999. ,
Improved Pauli Hamiltonian for local-potential problems, Physical Review B, vol.15, issue.6, p.2701, 1978. ,
DOI : 10.1103/PhysRevB.15.3620
-Edge Absorption Spectra of the Rare Earths: Assessment of the Single-Particle Picture, Physical Review Letters, vol.53, issue.4, p.267, 1983. ,
DOI : 10.1103/RevModPhys.53.769
transition metals in pure and oxide form by x-ray-absorption spectroscopy, Physical Review B, vol.6, issue.4, p.2111, 1983. ,
DOI : 10.1103/PhysRevB.6.4718
X-ray absorption near-edge structure of metal hydrides, Journal of the Less Common Metals, vol.103, issue.2, p.337, 1984. ,
DOI : 10.1016/0022-5088(84)90257-1
curved-wave x-ray-absorption fine structure, Physical Review B, vol.30, issue.2, p.4146, 1991. ,
DOI : 10.1103/PhysRevB.30.4719
Many-pole model of inelastic losses applied to calculations of XANES, Journal of Physics: Conference Series, vol.190, p.12009, 2009. ,
DOI : 10.1088/1742-6596/190/1/012009
URL : https://hal.archives-ouvertes.fr/hal-01114439
Energy and polarization-tunable X-ray quarter-wave plates for energy dispersive absorption spectrometer, Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, vol.349, issue.2-3, p.622, 1994. ,
DOI : 10.1016/0168-9002(94)91235-1
First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule, Physical Review Letters, vol.41, issue.21, p.3581, 1993. ,
DOI : 10.1103/PhysRevB.41.9087
Sum rules for X-ray magnetic circular dichroism, Il Nuovo Cimento D, vol.75, issue.144, p.1067, 1998. ,
DOI : 10.1007/BF03185514
Sum rules for polarization-dependent x-ray absorption, Physical Review B, vol.67, issue.2, p.1282, 1995. ,
DOI : 10.1103/PhysRevLett.67.3306
Foldy-Wouthuysen Transformation. Exact Solution with Generalization to the Two-Particle Problem, Physical Review, vol.92, issue.3, p.1011, 1958. ,
DOI : 10.1103/PhysRev.92.1310
Relativistic Quantum Mechanics, 1998. ,
DOI : 10.1017/CBO9780511622755
Construction of the Foldy???Wouthuysen transformation and solution of the Dirac equation using large components only, The Journal of Chemical Physics, vol.105, issue.6, p.2373, 1996. ,
DOI : 10.1017/S0305004100040482
Atomic Screening Constants from SCF Functions, The Journal of Chemical Physics, vol.72, issue.11, p.2686, 1963. ,
DOI : 10.1103/RevModPhys.32.245
Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons, The Journal of Chemical Physics, vol.47, issue.4, p.1300, 1967. ,
DOI : 10.1147/rd.91.0002
Sorbonne Universités, UMR CNRS 7590, UPMC Univ Paris 06, Muséum National d'Histoire Naturelle, IRD UMR206, 4 Place Jussieu, F-75005 Paris, France ? Laboratoire de Chimie PhysiqueMatì ere et RayonnementdeGroot@uu.nl RIXS-MCD, magnetic circular dichroism, non-local, 4p3d hybridisation, CrO2, distortion We conclude that we cannot give an unambiguous description of the ground state from a local crystal-field approach, de Physique des Matériaux et de Cosmochimie (IMPMC) Academic Centre for Materials and Nanotechnology Both, the existence of a double-exchange mechanism and the strong nonlocal Cr(4p)-O(2p)-Cr(3d) hybridisation indicate strong Cr-Cr interactions. Recent computational developments that enable the coupling between first principle densityfunctional theory and multi-electronic calculations would enable to go beyond the crystal-field model and provide valuable insights into the nature of the ground state of CrO 2, pp.30-059, 91192. ,
Spin-dependent extended x-ray absorption fine structure in magnetic oxides, Journal of Applied Physics, vol.83, issue.11, p.7085, 1998. ,
DOI : 10.1103/PhysRevLett.62.2620
Hard and Soft X-MCD Studies of CrO 2, Journal de Physique IV France, vol.7, 1997. ,
DOI : 10.1051/jp4/1997052
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures, Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, vol.27, issue.11, pp.2133-2139, 1971. ,
DOI : 10.1107/S0567740871005466
Double exchange and vibronic coupling in mixed valence systems. Origin of the broken-symmetry ground state of [Fe3S4]0 cores in proteins and models, Journal of the American Chemical Society, vol.115, issue.12, pp.1155155-5168, 1993. ,
DOI : 10.1021/ja00065a030
URL : https://hal.archives-ouvertes.fr/hal-00006139
Low-temperature neutron powder diffraction study of chromium dioxide and the validity of the Jahn-Teller viewpoint, Journal of the American Chemical Society, vol.110, issue.24, pp.8064-8071, 1988. ,
DOI : 10.1021/ja00232a018
First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge, Physical Chemistry Chemical Physics, vol.28, issue.21, pp.5619-5633, 2010. ,
DOI : 10.2138/am-1997-7-811
URL : https://hal.archives-ouvertes.fr/hal-00977994
1s2p resonant inelastic X-ray scattering in ?-Fe 2 O 3, Physical Review B, vol.58, 1998. ,
Electronic structure of CrO 2 studied by magnetic circular dichroism in resonant photoemission, Physical Review B, issue.5, p.71, 2005. ,
Core Level Spectroscopy of Solids Advances in Condensed Matter Science, 2008. ,
X-ray absorption of transition metal oxides, p.84, 1991. ,
Xray-absorption edges of d 0 compounds: K + , Ca 2+ , Sc 3+ , and Ti 4+ in O h (octahedral) symmetry, Physical Review B, vol.2, issue.412, pp.928-937, 1990. ,
The 1s x-ray absorption pre-edge structures in transition metal oxides, Journal of Physics: Condensed Matter, vol.21, issue.10, pp.104207-104214, 2009. ,
DOI : 10.1088/0953-8984/21/10/104207
The electronic and magnetic properties of the F-doped CrO2 from first-principles study, Journal of Magnetism and Magnetic Materials, vol.379, pp.196-201, 2014. ,
DOI : 10.1016/j.jmmm.2014.12.017
2p x-ray absorption of 3d transition-metal compounds: An atomic multiplet description including the crystal field, Physical Review B, vol.42, pp.5459-5468, 1990. ,
X-ray magnetic circular dichroism???a high energy probe of magnetic properties, Coordination Chemistry Reviews, vol.249, issue.1-2, 2005. ,
DOI : 10.1016/j.ccr.2004.05.017
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, Journal of Physics: Condensed Matter, vol.21, issue.39, p.395502, 2009. ,
DOI : 10.1088/0953-8984/21/39/395502
URL : https://hal.archives-ouvertes.fr/hal-00717147
Strong Anisotropy of Projected 3d Moments in Epitaxial CrO 2 Films, Physical Review Letters, vol.88, 2002. ,
Magnetic anisotropy of textured CrO 2 thin films investigated by X-ray magnetic circular dichroism, Applied Physics A: Materials Science & Processing, vol.74, issue.6, p.74, 2002. ,
DOI : 10.1007/s003390201302
URL : https://kops.uni-konstanz.de/bitstream/123456789/4703/1/Magnetic_anisotropy_of_textured_CrO2_thin_films_investigated_by_X_ray_magnetic_circular_dichroism.pdf
compounds, Physical Review B, vol.45, issue.7, p.75102, 2009. ,
DOI : 10.1103/PhysRevB.72.224503
URL : https://hal.archives-ouvertes.fr/hal-00651374
Multiplet ligand-field theory using Wannier orbitals, Physical Review B, vol.115, issue.16, p.165113, 2012. ,
DOI : 10.1103/PhysRevB.28.4315
URL : http://arxiv.org/pdf/1111.4940
Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean-field theory, EPL (Europhysics Letters), vol.108, issue.5, p.57004, 2014. ,
DOI : 10.1209/0295-5075/108/57004
URL : http://arxiv.org/pdf/1411.2340
Orbital magnetic moments of oxygen and chromium in CrO 2, Physical Review B, issue.17, p.66, 2002. ,
DOI : 10.1103/physrevb.66.174440
Orbital moments of CrO 2 and Fe 3 O 4 studied by MCD in soft X-ray absorption, Journal of Electron Spectroscopy and Related Phenomena, pp.137-140633, 2004. ,
DOI : 10.1016/j.elspec.2004.02.058
Anomalous spin polarization and dualistic electronic nature of CrO2, Physical Review B, issue.21, p.67, 2003. ,
DOI : 10.1103/physrevb.67.214419
transition metal oxides, Physical Review B, vol.19, issue.15, pp.155107-155121, 2011. ,
DOI : 10.1103/PhysRevB.69.245102
Angular dependence of core hole screening in LiCoO 2 : A DFT+U calculation of the oxygen and cobalt K-edge x-ray absorption spectra, Physical Review B, issue.11, pp.81115115-81115126, 2010. ,
URL : https://hal.archives-ouvertes.fr/hal-00652329
Direct evidence for an interdiffused intermediate layer in bi-magnetic core???shell nanoparticles, Nanoscale, vol.9, issue.20, pp.11911-11920, 2014. ,
DOI : 10.1029/2008GC001987
URL : https://hal.archives-ouvertes.fr/hal-01088111
Half-metallic ferromagnets: From band structure to many-body effects, Reviews of Modern Physics, vol.38, issue.181, pp.315-378, 2008. ,
DOI : 10.1103/RevModPhys.76.323
URL : https://pure.rug.nl/ws/files/6719039/2008RevModPhysKatsnelson.pdf
: A Self-Doped Double Exchange Ferromagnet, Physical Review Letters, vol.46, issue.19, pp.4305-4308, 1998. ,
DOI : 10.1103/PhysRevB.46.1284
URL : http://arxiv.org/pdf/cond-mat/9705091
Resonant inelastic X-ray scattering and its magnetic circular dichroism, Journal of Physics and Chemistry of Solids, vol.66, issue.12, pp.2150-2156, 2005. ,
DOI : 10.1016/j.jpcs.2005.09.018
in resonant scattering, Physical Review B, vol.63, issue.15, pp.155105-155109, 2003. ,
DOI : 10.1103/PhysRevB.63.235117
Efficient real-frequency solver for dynamical mean-field theory, Physical Review B, vol.2, issue.8, p.85102, 2014. ,
DOI : 10.1103/PhysRevLett.97.176405
URL : http://arxiv.org/pdf/1402.0807
for three-dimensional visualization of crystal, volumetric and morphology data, Journal of Applied Crystallography, vol.51, issue.6, pp.1272-1276, 2011. ,
DOI : 10.1107/S0108767394013292
: Bulk and Surface Doping, ChemSusChem, vol.178, issue.5, pp.1361-1371, 2014. ,
DOI : 10.1016/j.jmr.2005.08.013
Considerations on Double Exchange, Physical Review, vol.24, issue.2, pp.675-681, 1955. ,
DOI : 10.1103/RevModPhys.24.249
Half-metallic CrO 2 thin films for spintronic applications, 2011. ,
Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.80, issue.18, pp.3865-3868, 1996. ,
DOI : 10.1063/1.446965
Chromium dioxide: High pressure synthesis and bond lengths, Materials Research Bulletin, vol.7, issue.2, pp.157-161, 1972. ,
DOI : 10.1016/0025-5408(72)90272-3
Electronic (Absorption) Spectra of 3d Transition Metal Complexes, 2012. ,
Hard x-ray emission spectroscopy: a powerful tool for the characterization of magnetic semiconductors, Semiconductor Science and Technology, vol.29, issue.2, p.2014 ,
DOI : 10.1088/0268-1242/29/2/023002
The GALAXIES beamline at the SOLEIL synchrotron: inelastic X-ray scattering and photoelectron spectroscopy in the hard X-ray range, Journal of Synchrotron Radiation, vol.22, issue.1, pp.175-179, 2015. ,
DOI : 10.1107/S160057751402102X
Spin exchange in CrO 2 : the role of a localized level, Journal of Magnetism and Magnetic Materials, pp.272-276553, 2004. ,
Double exchange and charge fluctuations in CrO2, Journal of Applied Physics, vol.7, issue.11, pp.7471-7473, 2004. ,
DOI : 10.1103/PhysRevLett.62.2624
X???ray magnetic circular dichroism in the near and extended absorption edge structure (invited), Journal of Applied Physics, vol.43, issue.10, pp.76-6453, 1994. ,
DOI : 10.1103/PhysRevLett.69.3397
Magtrieve supplementary information, p.480037, 2015. ,
Strong K-edge Magnetic Circular Dichroism Observed in Photon-in?Photon-out Spectroscopy, Physical Review Letters, vol.105, issue.3, 2010. ,
URL : https://hal.archives-ouvertes.fr/hal-00656858
magnetic moments using hard x-ray photons, Journal of Applied Physics, vol.111, issue.7, pp.111-2012 ,
DOI : 10.1107/S0909049504018862
URL : https://hal.archives-ouvertes.fr/hal-00668194
single crystals of a half-metallic ferromagnetic compound, Journal of Physics: Conference Series, vol.144, pp.12110-012116, 2009. ,
DOI : 10.1088/1742-6596/144/1/012110
The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges, Micron, vol.41, issue.7, pp.41687-694, 2010. ,
DOI : 10.1016/j.micron.2010.06.005
X-ray Absorption Near-Edge Structure calculations with pseudopotentials.Application to K-edge in diamond and alpha-quartz, Physical Review B, issue.19, p.66, 2002. ,
Spin-mixed ground state of Fe phthalocyanine and the temperature-dependent branching ratio in X-ray absorption spectroscopy, Chemical Physics Letters, vol.149, issue.3, pp.295-299, 1988. ,
DOI : 10.1016/0009-2614(88)85029-2
Electronic structure and magnetic anisotropy of CrO2, Physical Review B, issue.17, pp.71172403-71172407, 2005. ,
X-ray Emission Spectra of Chromium Materials, The Journal of Physical Chemistry C, vol.118, issue.38, pp.11822202-22210, 2014. ,
DOI : 10.1021/jp409622r
Electronic properties of field aligned CrO2 powders, Physica B: Condensed Matter, vol.368, issue.1-4, pp.131-138, 2005. ,
DOI : 10.1016/j.physb.2005.07.007
Efficient pseudopotentials for plane-wave calculations, Physical Review B, vol.10, issue.3, pp.1993-2006, 1991. ,
DOI : 10.1016/0378-4363(79)90008-1
Intersite 4p-3d hybridization in cobalt oxides: a resonant x-ray emission spectroscopy study, pp.1-7, 2008. ,