Abstract
Self-consistent energy band calculations of Ni3Ga are carried out by the symmetrised augmented plane wave (SAPW) method. In the construction of a one-electron potential, the local-density approximation is used. Momentum density distributions determined by Compton scattering and positron annihilation are calculated by the SAPW method. These anisotropies are due not only to the partially occupied bands but also to the fully occupied ones. The calculated anisotropy in angular correlation curves of positron annihilation radiation is in good agreement with the recent experimental result. The corresponding calculated result in the Compton profile is also in good agreement with the recent experimental result. However, in contrast to the case of elemental transition metals, the calculated Compton profiles and angular correlation curves of positron annihilation radiation show anisotropies of different structures. It is shown that this feature originates from the localised d electron states of Ni3Ga.
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