Soft-x-ray-emission studies of bulk<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Si, FeSi, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>, and i

Jia, Jinbiao; Callcott, T. A.; O’Brien, W. L.; Dong, Qing; Mueller, D.; Ederer, D. L.; Tan, Z.; Budnick, J. I.

doi:10.1103/physrevb.46.9446

Cited by 34 publications

(10 citation statements)

References 19 publications

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“…22,23 The bonding in the calcium silicides has been also explained as a general hybridization between the Ca s-p-d and Si s-p states. 24 The theoretical partial density of state with the Si-s, Si-p, and Si-d electronic states for ␤-FeSi 2 , 36,37 in which the positive chemical shift of Si L 2,3 was reported, 38 indicated that the ratio of the number of Si s, p, and d states was about 3:5:1. Thus, we can neglect the role of the Si 3d orbital in Cau Si chemical bonding.…”

Section: Resultsmentioning

confidence: 96%

Effective charge on silicon atom in the metal silicidesMg2Siand CaSi

et al. 2005

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The effective charges of Si in both magnesium ͑Mg 2 Si͒ and calcium silicides ͑CaSi and Ca 2 Si͒ have been investigated by measuring high-resolution Si K␣ x-ray fluorescence spectra. CaSi showed small but positive chemical shifts ͑+0.03 eV͒, while the chemical shift of Mg 2 Si was negative ͑−0.14 eV͒, as expected from their electronegativity ͑Ca: 1.00; Mg: 1.31; Si: 1.90͒. The similarity of the chemical shift for the Fe silicides and the calculations for the free single Si atom suggested that the effective charge of Si for CaSi was positive. From the observations the effective charges on Si in CaSi and Mg 2 Si were estimated to be +0.1 and −0.3 electrons. The discrete variation Hatree-Fock-Slater calculations for Mg 2 Si and CaSi also showed opposite chemical shifts and effective charges: −0.09 eV and −0.35 electrons for Mg 2 Si and +0.09 eV and +0.26 electrons for CaSi, respectively. The composition of the nearest-neighbor atoms of Si, which are Si in CaSi and Mg in Mg 2 Si, cause the opposite effective charges between the two silicides.

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Section: Resultsmentioning

confidence: 96%

Effective charge on silicon atom in the metal silicidesMg2Siand CaSi

et al. 2005

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“…7c) gives insight into the Si L 2,3 soft x-ray emission (SXE) spectrum of Fe 3 Si reported by Jia et al 43 The SXE data from Fe 3 Si (see Fig. 1 of Jia et al) display three distinct peaks centered at binding energies of 2 eV, 6 eV, and 10 eV.…”

Section: B Ordered Compound Fe 3 Simentioning

confidence: 81%

Electronic structure and magnetism ofFe3−xVxX
Bansil
¹
,
Kaprzyk
²
,
Mijnarends
³

et al. 1999
Phys. Rev. B

378

250

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We present first principles charge-and spin-selfconsistent electronic structure computations on the Heusler-type disordered alloys Fe 3−x V x X for three different metalloids X= (Si, Ga and Al). In these calculations we use the methodology based on the Korringa-Kohn-Rostoker formalism and the coherent-potential approximation (KKR-CPA), generalized to treat disorder in multi-component complex alloys. Exchange correlation effects are incorporated within the local spin density (LSD) approximation. Total energy calculations for Fe 3−x V x Si show that V substitutes preferentially on the Fe(B) site, not on the Fe(A,C) site, in agreement with experiment. Furthermore, calculations have been carried out for Fe 3−x V x X alloys (with, x = 0.25, 0.50 and 0.75), together with the end compounds Fe 3 X and Fe 2 VX, and the limiting cases of a single V impurity in Fe 3 X and a single Fe(B) impurity in Fe 2 VX. We delineate clearly how the electronic states and magnetic moments at various sites in Fe 3−x V x X evolve as a function of the V content and the 1 metalloid valence. Notably, the spectrum of Fe 3−x V x X (X=Al and Ga) develops a pseudo-gap for the majority as well as minority spin states around the Fermi energy in the V-rich regime which, together with local moments of Fe(B) impurities, may play a role in the anomalous behavior of the transport properties. The total magnetic moment in Fe 3−x V x Si is found to decrease non-linearly, and the Fe(B) moment to increase with increasing x; this is in contrast to expectations of the 'local environment' model, which holds that the total moment should vary linearly while the Fe(B) moment should remain constant. The common-band model which describes the formation of bonding and antibonding states with different weights on the different atoms, however, provides insight into the electronic structure of this class of compounds.

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“…Inelastic scattering spectra for semiconductors and insulators have been obtained especially for the light elements, such as B, C, N, O, Si, S, Al, Mg, and P. So far, resonant (and normal) emission spectra have been analyzed for graphite (Carlisle, Shirley, et al, 1995, 1999Skytt et al, 1994), Si (Rubensson et al, 1990;Ma et al, 1993;Miyano et al, 1993;Eisebit et al, 1996;Shin et al, 1996), MgO, Al 2 O 3 , and SiO 2 (O'Brien, Jia, Callcott, Rubensson, et al, 1991;O'Brien et al 1992O'Brien et al , 1993aO'Brien et al , 1993bO'Brien et al , 1993, B 2 O 3 and silicides (Jia et al, 1991(Jia et al, , 1992, Li halides (Tsang et al, 1987), cBN (Agui et al, 1997;Hanamura et al, 1997), hBN (Muramatsu et al, 1993;Jia et al, 1996), CdS and ZnS (Zhou et al, 1997), diamond (Ma et al, 1992), CaF 2 (Rubensson et al, 1994a(Rubensson et al, , 1994bJia et al, 1998), CaSi x (Jia et al, 1995), Al x Ga 1Ϫx As (Dong et al, 1992), Al x Ga 1Ϫx N (Duda, Stagarescu, et al, 1998), C 60 (Luo et al, 1995;Guo, Glans, et al, 1995), Y 2 O 3 (Mueller et al, 1996), and GaN (Stagarescu et al, 1996).…”

Section: A Experimental Datamentioning

confidence: 99%

Resonant inelastic x-ray scattering spectra for electrons in solids

2001

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Resonant inelastic x-ray scattering (RIXS) has recently been a subject of remarkable progress due to the advent of high-brilliance synchrotron radiation sources. The authors present a review of both experimental and theoretical investigations of electrons in solids using this second-order optical process, in which there is coherent absorption and emission of x rays at resonance with electronic excitations. The review starts with some of the fundamental aspects of RIXS, after which are presented typical experimental data and their theoretical interpretation for various materials. The first class of materials considered is semiconductors and insulators (Si, C, and BN), which are typical systems with weak electron correlation, and the data are interpreted based on electronic states described by an energy-band model. Effects of symmetry of electronic states and electron momentum conservation are discussed. At the opposite extreme are rare-earth systems (metals and oxides), in which the 4f electrons are almost localized with strong electron correlation. The observations are interpreted based on the effects of intra-atomic multiplet coupling and weak interatomic electron transfer, which are well described with an Anderson impurity model or a cluster model. In this context a narrowing of spectral width in the excitation spectrum, polarization dependence, and the magnetic circular dichroism in ferromagnetic materials are discussed. The authors then consider transition-metal compounds, materials with electron correlation strengths intermediate between semiconductors and rare-earth systems. In these interesting cases there is an interplay of intra-atomic and interatomic electronic interactions that leads to limitations of both the band model and the Anderson impurity model. Finally, other topics in resonant x-ray emission studies of solids are described briefly. CONTENTS I. Introduction 203 II. Fundamental Aspects of Resonant Inelastic X-ray Scattering 205 A. Basic description of RIXS 205 B. Experimental measurements 206 C. Theoretical models 208 1. Energy-band model 208 2. Anderson impurity model 208 3. Momentum selection rule 210 4. Normal XES 210 III. RIXS in Semiconductors and Insulators 211 A. Experimental data 211 B. Silicon and graphite 211 C. Effects of core exciton and phonon relaxation 213 IV. Rare-Earth Systems 217 A. Experimental data for rare-earth metals and compounds 217 B. Effect of intra-atomic multiplet coupling 218 C. Effect of interatomic hybridization 221 D. Narrowing of spectral width in the excitation spectrum 223 E. Polarization dependence and magnetic circular dichroism 225 V. Transition-Metal Compounds 228 A. Crystal-field level excitation and charge-transfer excitation in copper oxide systems 228 B. Multiplet coupling effect and spin-dependent excitation spectra in Mn compounds 230 C. Early transition-metal compounds and the effect of carrier doping 232 D. Limitations of the band model and the Anderson impurity model 235 VI. Other Topics 238 A. Simple metals 238 B. Transition metals 239 C. Oxygen...

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Soft-x-ray-emission studies of bulkFe3Si, FeSi, andFeSi2, and i

Cited by 34 publications

References 19 publications

Effective charge on silicon atom in the metal silicidesMg2Siand CaSi

Effective charge on silicon atom in the metal silicidesMg2Siand CaSi

Electronic structure and magnetism ofFe3−xVxX
Bansil
¹
,
Kaprzyk
²
,
Mijnarends
³

et al. 1999
Phys. Rev. B

Resonant inelastic x-ray scattering spectra for electrons in solids

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Soft-x-ray-emission studies of bulkFe3Si, FeSi, andFeSi2, and i

Cited by 34 publications

References 19 publications

Effective charge on silicon atom in the metal silicidesMg2Siand CaSi

Effective charge on silicon atom in the metal silicidesMg2Siand CaSi

Electronic structure and magnetism ofFe3−xVxXBansil1, Kaprzyk2, Mijnarends3 et al. 1999Phys. Rev. B

Resonant inelastic x-ray scattering spectra for electrons in solids

Contact Info

Product

Resources

About

Electronic structure and magnetism ofFe3−xVxX
Bansil
¹
,
Kaprzyk
²
,
Mijnarends
³

et al. 1999
Phys. Rev. B