Density functional calculation of Compton profiles of metals using phase-space approach |
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| Institution: | 1. Department of Psychology, Oakland University, United States;2. Department of Psychology, Michigan State University, United States;1. LENS-MIND, Departament d''Enginyeries: Electrònica, Universitat de Barcelona, 08028 Barcelona, Spain;2. Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, 08028 Barcelona, Spain;3. Departament de Química Inorgànica i Orgànica, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain;4. CIC nanoGUNE, Tolosa Hiribidea, 76, E-20018 Donostia-San Sebastian, Spain;5. Departament de Física, Facultat de Ciències, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Cerdanyola del Vallès, Barcelona, Spain;6. Departamento de Física de Materiales, Instituto Pluridisciplinar and Instituto de Magnetismo Aplicado, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, 28040 Madrid, Spain |
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| Abstract: | Spherically averaged electron momentum densities (EMD) in Al, V and Cu metals have been calculated by using density functional theory in the phase-space approach. Compton profiles, J(q) and expectation values 〈pn〉 have been computed. These theoretical results show satisfactory agreement with the experimental data for Al, V and Cu. |
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