APW Pseudopotential Form Factors for the Alkali Metals
Several authors have adapted the techniques of band structure calculation to analyze experimental Fermi surface data. The secular determinant that arises in a first principles band structure calculation is expressed in terms of suitably-chosen parameters, and these are adjusted to fit the data. Two alternative methods have been developed and exploited; the OPW pseudopotential method is based on the OPW secular determinant, while the phase shift method is based on the APW secular determinant. The relationship between these two methods in the analysis of experimental Fermi surface data is discussed. The APW pseudopotential form factors that describe the electronion interaction in the alkali metals are presented, and are compared with form factors derived from OPW based pseudopotentials.
KeywordsForm Factor Alkali Metal Fermi Surface Lattice Potential Secular Equation
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