Electric Field Gradient in Aluminium due to Vacancy and Muon *
نویسنده
چکیده
The electric field gradients (EFG) in aluminium due to a monovacancy and the interstitial muon are evaluated. The valence effect EFG q is calculated using perturbed electron density ön(r) values obtained from density functional theory in an analytic expression which is valid at all distances from the impurity. The size effect E F G q is evaluated using a new oscillatory form for the near neighbour (nn) displacements. The numerical values of q are computed using fractional nn displacements available in the literature. For the total E F G good agreement with experiment is obtained without the use of any parameter.
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