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晶格振荡
第25讲 晶格振动
Lecture 25 Lattice Vibrations
Ⅰ. Introduction to the lattice vibrations
We cannot write the as , so we can not have “the single ion approximation” to calculate the total energy by summing the energy of each ion in this solid.
What we can do is to divide the entire N-ion motions into N motive modes which are called as the normal modes. Then we calculate the energy of each normal mode and get the total energy by summing energy of every normal mode which is a kind of collective motion of all N ions.
Ⅱ.The normal modes of 1D monatomic chain of atoms (一维单原子链的简正模式或格波)
1. The equations of motion for any atom in a chain
Notes for seeking the solutions of the form with lattice wave vector q and frequency ω.
Every ion oscillates with the same frequency (ω) and amplitude (A) because of the translation symmetry.
The phase difference (qa) of two neighboring ions is fixed for the whole chain of atoms.
The dispersion curve of 1-dimensional monatomic chain of atoms
From periodic boundary condition
2. Conclusions:
A pair of (ωq ,q) represents a vibration mode of lattice. There are N different modes in the first Brillouin zone. Each of (ωq, q) represents a normal mode.
Different normal modes need energies different.
The dispersion relation is periodic and the periodicity is one reciprocal lattice vector!
Changing q by one reciprocal lattice vector gives exactly the same movement of the atoms.
The dispersion curve, which ω vanishes linearly in k-space for small q, is called “acoustic branch.”
The vibration modes belong to the acoustic branch are called “acoustic mode.”(声学模)
3. Normal coordinates (简正坐标)of a monatomic 1-dimensional Bravais Lattice
Where is normal coordinate, and.
Two basic relations following as:
Newton equations describe dynamics of N independent harmonic oscillators!
In normal coordinates Hamiltonian is a sum of N independent Linear Harmonic Oscillators.(晶格系统等效为N个线性谐振子)
– each of which is a referred to as
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