X-Ray Compton Scattering

We present valence electron Compton profiles calculated within the density-functional theory using the all-electron full-potential projector augmented-wave method (PAW). Our results for covalent (Si), metallic (Li, Al) and hydrogen-bonded ((H 2 O) 2 ) systems agree well with experiments and computational results obtained with other band-structure and basis set schemes. The PAW basis set describes the high-momentum Fourier components of the valence wave functions accurately when compared with other basis set schemes and previous all-electron calculations.

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“…In the Compton scattering experiment the quantity of interest is the so-called Compton profile [1] J(p z ) = dp x dp y ρ(p),…”

Section: Compton Profilesmentioning

confidence: 99%

Calculation of valence electron momentum densities using the projector augmented-wave method

Makkonen

Hakala

Puska

2005

Journal of Physics and Chemistry of Solids

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“…Such an expansion was proposed by Houston, for determining the frequency distribution f (v) in order to obtain the total distribution (2) and subsequently the Debye temperature [4]. As an illustration of the applicability of this formula, Houston checked if it were possible (for cubic structures), using only the three first cubic harmonics in Eq.…”

Section: Introductionmentioning

confidence: 99%

How to estimate isotropic distributions and mean values in crystalline solids

Kontrym‐Sznajd

Dugdale

2015

J. Phys.: Condens. Matter

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Abstract:The concept of special directions in the Brillouin zone and the applicability of Houston's formula (or its extended versions) to both theoretical and experimental investigations are discussed. We propose some expressions to describe the isotropic component in systems having both cubic and non-cubic symmetry.This results presented have implications for both experimentalists who want to obtain average properties from a small number of measurements on single crystals, and for theoretical calculations which are to be compared with isotropic experimental measurements, for example coming from investigations of polycrystalline or powder samples.

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“…High-energy X-rays are used in Compton scattering experiments, in which electron momentum density distributions in matter (mainly solid) can be investigated (Cooper et al, 2004;Schü lke, 2007). At beamline BL08W at SPring-8, where such experiments are routinely performed with an X-ray energy between 100 keV and 300 keV, a project began for experiments with X-rays micro-focused in the direction perpendicular to the plane of the electron orbit (one-dimensional lens).…”

Section: Introductionmentioning

confidence: 99%

A planar parabolic refractive nickel lens for high-energy X-rays

Andrejczuk

Nagamine²,

Sakurai

et al. 2013

J Synchrotron Radiat

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A compound refractive lens made of nickel and designed for focusing highenergy synchrotron X-rays is presented. The lens consists of 600 parabolic grooves and focuses X-rays in one plane only (planar lens). The lenses made and investigated by us earlier exhibited low transmission and irregularities in the focused beam profile. Since then, improvements in lens manufacturing technology have been made. The present lens gives an almost Gaussian profile and produces four times higher intensity at its maximum compared with the intensity of primary X-ray beams of 174 keV.

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X-Ray Compton Scattering

Cited by 327 publications

References 0 publications

Calculation of valence electron momentum densities using the projector augmented-wave method

Calculation of valence electron momentum densities using the projector augmented-wave method

How to estimate isotropic distributions and mean values in crystalline solids

A planar parabolic refractive nickel lens for high-energy X-rays

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