1983
DOI: 10.1515/zna-1983-1208
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Experimental Determination of the Form and Structure Factor of Molten Lithium

Abstract: The aim of the present paper is to state differences in the spatial distribution of valency electrons for free metal atoms and for molten metals. The element lithium was chosen since both its inner and outer electrons play an important role, so that when a precise X-ray and a precise neutron-diffraction experiment have been carried out a difference, if it exists at all. should be recognizable. The correction of the X-ray data for inelastic, i.e. Compton scattering was done on the basis of an inelastic measurem… Show more

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Cited by 58 publications
(42 citation statements)
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“…In particular, the q(k) from the DFT-MD simulations is lower than calculations in Debye-Hückel theory and shows antiscreening for k = (2.5 − 5) Å −1 , as already found in other works [29,38,67]. The result of q(k) in [27] is consistent with Debye-Hückel using Z f = 1.35.…”
Section: Comparison With Xrts Experiments On Wdmsupporting
confidence: 84%
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“…In particular, the q(k) from the DFT-MD simulations is lower than calculations in Debye-Hückel theory and shows antiscreening for k = (2.5 − 5) Å −1 , as already found in other works [29,38,67]. The result of q(k) in [27] is consistent with Debye-Hückel using Z f = 1.35.…”
Section: Comparison With Xrts Experiments On Wdmsupporting
confidence: 84%
“…1, we compare our simulation results at 600 K (∼0.05 eV) with available data from neutron and x-ray scattering experiments [38] performed at T = 595 K and a mass density of 0.495 g/cm 3 which represents an ion number density of n = 0.043 Å −3 . The melting point is at 453 K. Our simulation results agree very well with the experimental data of Olbrich et al [38] for all k values and with an analytical model of Chihara [39]. Furthermore, in the long-wavelength limit, S ii (k → 0) can be calculated via the isothermal compressibility κ T by…”
Section: Results For the Static Ion Structure Factormentioning
confidence: 99%
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“…Measuring these differences will be extremely challenging, since they require two completely different scattering techniques, which implies subtracting two different sets of systematic corrections. In particular, the removal of incoherent scattering effects from the total scattering remains under discussion 35,34,36 . We note that a series of experiments measuring the differences between X-ray and neutron-scattering determinations of S II (k) have been reported for Li 35 , Na, Mg, Al, Zn, Ga, Sn, Te, Tl, Pb, and Bi 37 .…”
Section: Using Free-atom Form Factors Vs Metallic-atom Form Factorsmentioning
confidence: 99%
“…Then the neutron structure factor, SN(Q) which is a measure of the correlations between nuclei in liquid metals, is determined as follows: (2) Similar discussion is applicable to X-ray diffraction by valence electrons and ions. When we use the Ashcroft-Langreth form(13) of the partial structure factors between particles as ions and electrons, Sii(Q), See(Q) and Sie(Q), where i=ion and e=electron, the coherent Xray scattering intensity, IcohX(Q), is written as follows: (3) where fi(Q) is the form factor of an ion and that of a valence electron is considered to be unity, because each valence electron is sufficiently a point charge as an good approximation(1). The physical meaning of the first term in the square bracket of eq.…”
mentioning
confidence: 99%