Fermi surface of the noble metals |
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Authors: | Rajeev Ahuja A K Solanki T Nautiyal S Auluck |
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Institution: | (1) Physics Department, University of Roorkee, 247 667 Roorkee, India |
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Abstract: | We report calculations of extremal areas of four Fermi surface (FS) orbits of the noble metals using the linear muffin tin
orbital method in the atomic sphere approximation. Our calculations indicate that thel = 3 potential parameters and increase in the number of k-points in the Brillouin zone (BZ) summation from 240 to 916 have
no significant effect on the FS. All calculations were performed self-consistently including up tol = 2 potential parameters and with 240 k points in the BZ summation. Calculations were performed with the exchange, correlation
potentials (XCP) of Barth-Hedin, Barth-Hedin modified by Janak, SlaterX
α, and the Vosko-Wilk-Nussair. Results compared with other theoretical calculations indicate that none of the above XC potentials
give an accurate representation of the FS for all the noble metals. We feel that the inclusion of the non-locality of XCP
may give a better account of the FS geometry. |
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Keywords: | Fermi surface linear muffin tin orbital exchange correlation potential |
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