Chemical approach based on molecular orbital theory

1 Chemical approach based on molecular orbital theory [Pg.128]

A piece of metal may be regarded as an infinite solid where all the atoms are arranged in a close-packed manner. If a large number of sodium atoms are [Pg.128]

The evolution of a band of molecular orbitals as the number of contributing atoms such as Na increases. The shaded part in the band of N atoms indicates its containing electrons. [Pg.128]

The energy states in a band are not evenly distributed, and the band structure is better described by a plot of energy E against a density of states function N(E) which represents the number of energy states lying between E and SE, as shown in Fig. 4.3.2. [Pg.129]

The number of states within each band is equal to the total number of orbitals contributed by the atoms. For one mole of metal, a s band will consist of No states and a 3p band of 3No states. These bands will remain distinct if the s-p separation is large, as shown in Fig. 4.3.3(a). However, if the s-p separation is small, the s and p bands overlap extensively and band mixing occurs. This situation, as illustrated in Fig. 4.3.3(b), applies to the alkaline-earth metals and main group metals. [Pg.129]

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