PHD → Condensed matter physics → Crystal structure and lattice ↓
Band theory in crystal structure and lattices
Band theory is a fundamental concept in condensed matter physics that helps explain the electronic behaviour of solids. It is particularly important in understanding the conductivity of various materials such as metals, insulators and semiconductors. This theory is based on the background of quantum mechanics and the periodic structure of crystalline solids.
Introduction to band theory
To fully understand band theory, we need to start with the basics of crystal structures and lattices. In condensed matter physics, a crystalline solid is a substance whose components, such as atoms or molecules, are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions.
The repeating structure of the lattice is known as the unit cell. The entire crystal is built by repeating the unit cell in three-dimensional space. This regularity is important for creating energy bands.
Formation of energy bands
The concept of energy bands originates from the quantum mechanical model of atoms. In an isolated atom, electrons have discrete energy levels. However, when atoms are brought together to form a crystal, these discrete levels expand into energy bands due to interactions between the atoms.
Energy levels in a crystal are so close that they form a band of allowed energies for electrons. The valence band
is the band containing the outermost electrons that are involved in bonding. Above this is conduction band
, which can accept electrons and allows electrical conduction.
Band gaps
An important concept within band theory is the idea of the band gap. This is the energy difference between the top of the valence band and the bottom of the conduction band. The band gap classifies materials into conductors, semiconductors, and insulators:
- Conductors: These materials have overlapping valence and conduction bands, or very small band gap, making it easy for electrons to move freely and conduct electricity.
- Semiconductors: These have a medium band gap, which can be overcome by thermal or optical energy, giving controlled conductivity.
- Insulators: These have a large band gap which electrons cannot easily cross, thereby impeding electrical conduction.
Kroenig–Penney model
The Kronig-Penney model is a simplified model that gives information about the formation of bands in a potential field. Imagine electrons in a periodic lattice model with a sinusoidal potential. In reality, the potential is more complicated, but this model helps to demonstrate how energy bands are formed.
The Kronig-Penney model shows that in a periodic potential, only specific energy values are allowed, resulting in allowed and forbidden energy bands. Solutions to this model are obtained by solving the Schrödinger equation:
-ħ²/(2m) * d²ψ/dx² + V(x)ψ = Eψ
Where:
- ħ is the reduced Planck constant
- m is the mass of an electron
- ψ is the wave function
- E is the energy
- V(x) is the periodic potential
Brillouin zone
To further understand band structures, we examine Brillouin zones. These are uniquely defined regions in reciprocal space (momentum space) that are related to the periodicity of the crystal lattice. They play an important role in characterizing the symmetry and electronic states within the crystal.
The electronic states and associated energy levels within each Brillouin zone can be mapped, allowing investigation of the band structure of a material.
Applications of band theory
There are many important applications of band theory, which significantly impact technology and materials science:
Semiconductors and electronics
In semiconductors, control over the band gap through doping drives electronics and optoelectronics. Doping involves manipulating the electrical properties of a semiconductor by adding impurities to it. These properties are the basis of modern electronic devices such as diodes, transistors, and solar cells.
Metals and conductors
In metals, where the valence and conduction bands overlap, there is high electronic mobility. This explains the wide range of conductivity in metals, which is important for electrical and thermal applications.
Conclusion
Band theory is an essential component of condensed matter physics, providing profound insights into the electronic properties of materials. From explaining fundamental physical features to driving advances in technology, this underscores the importance of understanding energy bands in crystalline solids.