Abstract
It is the concept of canonical bands which raises the LMTO method above the level of being just a new procedure for calculating energy-band structures. We shall therefore immediately give an account of the principles behind canonical band theory based upon the so-called KKR-ASA equations. The important ingredients are volume-and energy-independent structure constants, and parameters which contain information relating to the one-electron potential. When brought together, these quantities completely specify the energy-band structure of a given material in a given crystal structure. This canonical description, valid for closely packed crystalline solids, gives a physically simple picture of energy-band formation. In addition, it gives rise to a convenient scaling principle for state densities and it allows for analytic model calculations which may be used to understand, for instance, cohesive and magnetic properties.
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© 1984 Springer-Verlag Berlin Heidelberg
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Skriver, H.L. (1984). Canonical Band Theory. In: The LMTO Method. Springer Series in Solid-State Sciences, vol 41. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-81844-8_2
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DOI: https://doi.org/10.1007/978-3-642-81844-8_2
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