Szczegóły publikacji
Opis bibliograficzny
Two-dimensional folding technique for enhancing Fermi surface signatures in the momentum density: Application to Compton scattering data from an ${Al-3}$ at.% ${Li}$ disordered alloy / I. Matsumoto, J. Kwiatkowska [et al.], S. KAPRZYK [et al.] // Physical Review. B, Condensed Matter and Materials Physics ; ISSN 1098-0121. — Tytuł poprz.: Physical Review B : Condensed Matter. — 2001 — vol. 64 no. 4 art. no. 045121, s. 045121-1–045121-9. — Bibliogr. s. 045121-8–045121-9
Autorzy (10)
- Matsumoto I.
- Kwiatkowska J.
- Maniawski F.
- Itou M.
- Kawata H.
- Shiotani N.
- AGHKaprzyk Stanisław
- Mijnarends Peter E.
- Barbiellini Bernardo
- Bansil Arun
Dane bibliometryczne
| ID BaDAP | 7199 |
|---|---|
| Data dodania do BaDAP | 2001-12-10 |
| DOI | 10.1103/PhysRevB.64.045121 |
| Rok publikacji | 2001 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Physical Review, B |
Abstract
We present a technique for enhancing Fermi surface (FS) signatures in the two-dimensional (2D) distribution obtained after the 3D momentum density in a crystal is projected along a specific direction in momentum space. These results are useful for investigating fermiology via high-resolution Compton scattering and positron annihilation spectroscopies. We focus on the particular case of the (110) projection in a fcc crystal where the standard approach based on the use of the Lock-Crisp-West (LCW) folding theorem fails to give a clear FS image due to the strong overlap with FS images obtained through projection from higher Brillouin zones. We show how these superposed FS images can be disentangled by using a selected set of reciprocal lattice vectors in the folding process. The applicability of our partial folding scheme is illustrated by considering Compton spectra from an Al-3 at. % Li disordered alloy single crystal. For this purpose, high-resolution Compton profiles along nine directions in the (110) plane were measured. Corresponding highly accurate theoretical profiles in Al-3 at. % Li were computed within the local density approximation (LDA)-based Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) first-principles framework. A good level of overall accord between theory and experiment is obtained, some expected discrepancies reflecting electron correlation effects notwithstanding, and the partial folding scheme is shown to yield a clear FS image in the (110) plane in Al-3 at. % Li.
