Electronic structures of bulk solids

Surface states on d band metals and semiconductors are important examples of surface wavefunctions, which may dominate the tunneling current. On many metal surfaces, the tails of the bulk states dominate. For example, on the surfaces of Pt and Ir, the tails of the bulk states dominate -he wavefunctions at surfaces, and can be represented with reasonable accuracy as linear combinations of atomic states (LCAO). 

The band structure and Bloch functions of metals have been extensively published. In particular, the results are compiled as standard tables. The book Calculated Electronic Properties of Metals by Moruzzi, Janak, and Williams (1978) is still a standard source, and a revised edition is to be published soon. Papaconstantopoulos s Handbook of the Band Structure of Elemental Solids (1986) listed the band structure and related information for 53 elements. In Fig. 4.14, the electronic structure of Pt is reproduced from Papaconstantopoulos s book. Near the Fermi level, the DOS of s and p states are much less than 1%. The d states are listed according to their symmetry properties in the cubic lattice (see Kittel, 1963). Type 2 includes atomic orbitals with basis functions xy, yz, xz], and type e, includes 3z - r-), (x - y ). The DOS from d orbitals comprises 98% of the total DOS at the Fermi level. 

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The knowledge of the electronic structure of metal clusters is of key importance to understand the origin of their catalytic activity. The electronic structure of bulk solids and of solid surfaces is now well understood in terms of band theory. On... 

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