dc.creator Das, S. G. en_US dc.creator Koelling, D. D. en_US dc.creator Mueller, F. M. en_US dc.creator Freeman, A. J. en_US dc.date.accessioned 2006-06-15T13:33:08Z dc.date.available 2006-06-15T13:33:08Z dc.date.issued 1972 en_US dc.identifier 1972-P-6 en_US dc.identifier.uri http://hdl.handle.net/1811/9089 dc.description Author Institution: Argonne National Laboratory; Argonne National Laboratory, Northwestern University; Argonne National Laboratory, Northwestern University en_US dc.description.abstract The band structure of scandium is studied on the basis of the SRAPW method and an interpolation scheme which uses the s, p, d type functions in the tight-binding representation. The warped muffin-tin potential was obtained from overlapping charge densities which were derived from the atomic configuration $3d4s^{2}$ with the exchange interaction based on the Slater approximation. The Hamiltonian of the interpolation scheme was parameterized in terms of 16 parameters in a two-center approximation. The results obtained for the total density of states, the factorized d density of states, etc., are in excellent agreement with the experimental results. This research was supported by the AEC, AFOSR and by ARPA through the N.U. Materials Research Center. en_US dc.format.extent 111398 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title ELECTRONIC STRUCTURE OF SCANDIUM en_US dc.type article en_US
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