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• W2023003915 abstract "The starting point of the present article is a careful analysis of the physical meaning of the three deformation electron-charge-density maps for V/sub 3/Si, V/sub 3/Ge, and Cr/sub 3/Si (previously presented by J.-L. Staudenmann et al., Phys. Rev. B 24, 6446 (1981)). Based on the significant differences exhibited in these maps, it was shown that one can organize all the Debye temperatures at 0 K from specific-heat measurements into five collections which were called Debye classes. The findings here presented are not limited to A15 alloys alone, but rather can be applied to any other family of compounds that satisfies the free-atom superposition principle and the small-amplitude vibration hypothesis. It is shown that deformation electron charge densities depend only weakly upon structure and that they are mainly related to physical properties. Furthermore, the use of deformation electron-charge density as a criterion in setting the starting point for the three main Debye classes is justified a posteriori. We point out that when one takes into account the consequences of the dielectric function, the static or bonding electron charge density can only be extracted with great difficulty from any experimental data. This certainly complicates any comparison between experimental and computed electron chargemore » densities. It is shown that the deformation and total electron charge densities are the only well-defined inverse fourier transforms. If the vibration amplitude of the valence-electron orbitals are non-negligible, the valence-electron charge density, in contrast to the deformation and total electron charge densities, has no simple interpretation.« less" @default.
• W2023003915 created "2016-06-24" @default.
• W2023003915 creator A5001780107 @default.
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• W2023003915 date "1983-04-01" @default.
• W2023003915 modified "2023-09-24" @default.
• W2023003915 title "Physical content of electron-charge-density distributions inA15compounds" @default.
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• W2023003915 doi "https://doi.org/10.1103/physrevb.27.4186" @default.
• W2023003915 hasPublicationYear "1983" @default.
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