21PYB102J – Semiconductor

Physics and Computational Methods

Unit – I: Session – 2: SLO - 2

SRM Institute of Science and Technology 1

 Band Theory of Solids -
Lattice, Reciprocal Lattice, Concept of Energy
Bands in Solids, Bloch Theorem
 1D Lattice

• Atoms (or ions) are arranged with equal spacing a called lattice parameter.
 2D Lattice

• Atoms (or ions) are periodically arranged in 2D space.

• Two lattice parameters a and b uniquely define the 2D lattice.

 Reciprocal Lattice and Brillouin Zone in 1D

Direct lattice.

Reciprocal lattice.
 Brillouin Zone in 2D

• Also called Wigner-Seitz primitive cell in the reciprocal lattice.

 Concept of Energy Bands in Solids (1)

• When two identical atoms are far apart, the allowed energy levels for a given
principal quantum number (for example n = 1) consist of one double degenerate level.
That is, both atoms have exactly the same energy.

• When they are brought closer, the doubly degenerate energy levels will split into two
levels by the interaction between atoms. This splitting occurs due to the Pauli’s
exclusion principle.
 Concept of Energy Bands in Solids (2)

• As N isolated atoms are brought together to form a solid, it causes a shift in the
energy levels of all N atoms, as in the case of two atoms.

• However, instead of two levels, N separate but closely spaced levels are formed.
When N is very large, the result is essentially a continuous band of energy. This band
of N levels can extend over a few eV at the inter-atomic distance of the crystal.
 An Example: Energy Bands in Silicon

• When many Si atoms are brought together, the energy bands are formed in such a
way it divides into two and in between there are no energy levels present. The gap
between these bands are called band gap.

• The band lying below is called valence band owing to the presence of valence
electrons which are tightly bound to the parent atoms. The band lying higher than the
valence band is called conduction band which is responsible for conducting current in
the material.
 Band Theory of Solids

• Developed by Felix Bloch in 1928. (PhD thesis)

• Free-electron approximation is abandoned.

• Coulombic interaction between valence electrons

and positively charged metal ions is included.

• Independent-electron approximation is retained.

• Explains band structure in solids.

Felix Bloch (1905 -1983)
Nobel Prize in Physics, 1952
 Bloch’s Theorem

• A fundamental theorem in the quantum theory of crystalline solids.

• Statement: The wave function of an electron moving in a periodic 1D lattice

is of the form

• u(x) has the same periodicity as the lattice.

• Alternate statement of Bloch’s theorem: