โ Scribed by S. Mahajan; S. Prakash
No coin nor oath required. For personal study only.
Selfโconsistent โ๏ธnonlinear screening calculations for pointโion nonmagnetic impurities in jellium are made using the HohenbergโKohn and KohnโSham density functional formalism. The Friedel criterion is used to estimate the effective impurity valency and the Blatt correction is used for the size effect. The impurity induced charge densities in the Al matrix are calculated and an analytical expression, valid in both the preasymptotic and asymptotic regions is proposed. The net impurity effective charges are calculated and it is found that the matrix makes a substantial charge transfer in the impurity cell for all the alloys except AlMg and AlSn. The estimated residual resistivities agree fairly well with available experimental data.
๐ SIMILAR VOLUMES
We report a fully self-consistent investigation of the electronic structure, relation between charge transfer and electronegativity, bonding characteristics, and alloying of Al, P, S, and C1 with silicon. The present study indicates that the charge transfer from the host Si atoms to the central impu
## Abstract The electronic structure of aluminium and concentrated aluminiumโmagnesium alloys and the effect of alloying on the Fermi surface of aluminium were investigated. It is found that the energy bands are quite sensitive to concentration. Energy gaps at lower concentrations agree with optica