Abstract
Electronic contributions to electric field gradient (EFG) in α-Ga metal as a function of temperature are calculated for the first time by using a temperature-dependent non-local model potential. The ionic contributions, evaluated in point-ion approximation, are taken from the work of Valic and Williams. The sign of the net calculated EFG as well as the decreasing trend in its magnitude with increase of temperature are in agreement with experiment. There are, however, quantitative differences between theory and experiment with regard to EFG parameters. Possible reasons for these discrepancies are discussed.
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