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Electronic structure of beryllium
Author(s) -
Oriade Joseph
Publication year - 1982
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560210203
Subject(s) - beryllium , fermi surface , fermi level , condensed matter physics , atomic physics , hall effect , electronic band structure , electronic structure , chemistry , density of states , work (physics) , fermi energy , physics , quantum mechanics , electrical resistivity and conductivity , nuclear physics , electron , superconductivity
The electronic energy bands in beryllium have been recalculated. The earlier work of Terrell [1] was found to contain a systematic error in the form of overlapping muffin tins. The new band structures give a density of states with the Fermi surface lying in the hole like portion, consistent with Hall measurements. All existing calculations misplaced the Fermi surface. As a further check on the new bands, the Hall coefficient A H was calculated. We obtained A H = (7.6 ± 0.8) × 10 −24 cgs units for the easy axis or c direction, in excellent agreement with the experimental value of A H = 8.56 × 10 24 cgs units.