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.


Originally published in Physical Review B v.64 (2001): 045121. DOI: 10.1103/PhysRevB.64.045121


Compton scattering, positron annihilation, folding technique

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Fermi surfaces, Scattering (Physics)




American Physical Society

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Copyright 2001 American Physical Society

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