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Electronic charge density of aluminum |
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| Authors: | John P. Walter C.Y. Fong Marvin L. Cohen |
| Affiliation: | 1. Department of Physics, Brandeis University, Waltham, Massachusetts 02154, USA;2. Department of Physics, University of California, Berkeley, California 94720, USA;4. Department of Physics, University of California, Berkeley, California 94720, USA;5. Department of Physics, University of California, Berkeley, California 94720, USA;6. Inorganic Materials Research Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720, USA |
| Abstract: | The valence electronic charge density is calculated for aluminum from wave-functions obtained via Ashcroft's pseudopotential. A contour plot of the charge density is presented in the (100) plane. The Fourier transform of the charge density is used to calculate the atomic form factors which are compared with experimental X-ray form factors. The accuracy of the wavefunctions are further tested by comparing calculations of the imaginary part of the frequency dependent dielectric function with and without the effect of core states. |
| Keywords: | Please address reprint requests to Dr. Cohen. |
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