Crystal momentum

In solid-state physics crystal momentum or quasimomentum[1] is a momentum-like vector associated with electrons in
a crystal lattice. It is defined by the associated wave vectors of this lattice, according to

(where is the reduced Planck's constant).[2]:139 Frequently, crystal momentum is conserved like mechanical momentum,
making it useful to physicists and materials scientists as an analytical tool.

Contents
Lattice symmetry origins
Physical significance
Relation to velocity
Response to electric and magnetic fields
Applications
ARPES
References

Lattice symmetry origins

A common method of modeling crystal structure and behavior is to view electrons as quantum mechanical particles
traveling through a fixed infinite periodic potential such that

where is an arbitrary lattice vector. Such a model is sensible because (a) crystal ions that actually form the lattice
structure are typically on the order of tens of thousands of times more massive than electrons,[3] making it safe to replace
them with a fixed potential structure, and (b) the macroscopic dimensions of a crystal are typically far greater than a single
lattice spacing, making edge effects negligible. A consequence of this potential energy function is that it is possible to shift
the initial position of an electron by any lattice vector without changing any aspect of the problem, thereby defining a
discrete symmetry. (Speaking more technically, an infinite periodic potential implies that the lattice translation operator
commutes with the Hamiltonian, assuming a simple kinetic-plus-potential form.[2]:134)

These conditions imply Bloch's theorem, which states in terms of equations that

or in terms of words that an electron in a lattice, which can be modeled as a single particle wave function , finds its
stationary state solutions in the form of a plane wave multiplied by a periodic function . The theorem arises as a direct
consequence of the aforementioned fact that the lattice symmetry translation operator commutes with the system's
Hamiltonian.[2]:261–266[4]
One of the notable aspects of Bloch's theorem is that it shows directly that steady state solutions may be identified with a
wave vector , meaning that this quantum number remains a constant of motion. Crystal momentum is then
conventionally defined by multiplying this wave vector by Planck's constant:

While this is in fact identical to the definition one might give for regular momentum (for example, by treating the effects of
the translation operator by the effects of a particle in free space[5]), there are important theoretical differences. For
example, while regular momentum is completely conserved, crystal momentum is only conserved to within a lattice vector,
i.e., an electron can be described not only by the wave vector , but also with any other wave vector k' such that

where is an arbitrary reciprocal lattice vector.[2]:218 This is a consequence of the fact that the lattice symmetry is
discrete as opposed to continuous, and thus its associated conservation law cannot be derived using Noether's theorem.

Physical significance
The phase modulation of the Bloch state is the same as that of a free particle with momentum ,
i.e. gives the state's periodicity, which is not the same as that of the lattice. This modulation contributes to the kinetic
energy of the particle (whereas the modulation is entirely responsible for the kinetic energy of a free particle).

In regions where the band is approximately parabolic the crystal momentum is equal to the momentum of a free particle
with momentum if we assign the particle an effective mass that's related to the curvature of the parabola.

Relation to velocity
Crystal momentum corresponds to the physically measurable concept of velocity
according to[2]:141

This is the same formula as the group velocity of a wave. More specifically, due to
A wave packet with dispersion,
the Heisenberg uncertainty principle, an electron in a crystal cannot have both an which causes the group velocity
exactly-defined k and an exact position in the crystal. It can, however, form a wave and phase velocity to be
packet centered on momentum k (with slight uncertainty), and centered on a different. This image is a 1-
certain position (with slight uncertainty). The center position of this wave packet dimensional real wave, but
changes as the wave propagates, moving through the crystal at the velocity v given electron wave packets are 3-
dimensional complex waves.
by the formula above. In a real crystal, an electron moves in this way—traveling in
a certain direction at a certain speed—for only a short period of time, before
colliding with an imperfection in the crystal that causes it to move in a different, random direction. These collisions, called
electron scattering, are most commonly caused by crystallographic defects, the crystal surface, and random thermal
vibrations of the atoms in the crystal (phonons).[2]:216

Response to electric and magnetic fields

Crystal momentum also plays a seminal role in the Semiclassical model of electron dynamics, where it obeys the equations
of motion (in cgs units):[2]:218

Here perhaps the analogy between crystal momentum and true momentum is at its most powerful, for these are precisely
the equations that a free space electron obeys in the absence of any crystal structure. Crystal momentum also earns its
chance to shine in these types of calculations, for, in order to calculate an electron's trajectory of motion using the above
equations, one need only consider external fields, while attempting the calculation from a set of equations of motion based
on true momentum would require taking into account individual Coulomb and Lorentz forces of every single lattice ion in
addition to the external field.

Applications

ARPES
In angle-resolved photo-emission spectroscopy (ARPES), irradiating light on a crystal sample results in the ejection of an
electron away from the crystal. Throughout the course of the interaction, one is allowed to conflate the two concepts of
crystal and true momentum and thereby gain direct knowledge of a crystal's band structure. That is to say, an electron's
crystal momentum inside the crystal becomes its true momentum after it leaves, and the true momentum may be
subsequently inferred from the equation

by measuring the angle and kinetic energy at which the electron exits the crystal ( is a single electron's mass).
Interestingly, because crystal symmetry in the direction normal to the crystal surface is lost at the crystal boundary, crystal
momentum in this direction is not conserved. Consequently, the only directions in which useful ARPES data can be
gleaned are directions parallel to the crystal surface.[6]

References
1. Gurevich V.L.; Thellung A. (October 1990). "Quasimomentum in the theory of elasticity and its conversion". Physical
Review B. 42 (12): 7345–7349. Bibcode:1990PhRvB..42.7345G (http://adsabs.harvard.edu/abs/1990PhRvB..42.7345
G). doi:10.1103/PhysRevB.42.7345 (https://doi.org/10.1103%2FPhysRevB.42.7345).
2. Neil Ashcroft; David Mermin (1976). Solid State Physics. Brooks/Cole Thomson Learning. ISBN 0-03-083993-9.
3. Peter J. Mohr; Barry N. Taylor (2004). "The 2002 CODATA Recommended Values of the Fundamental Physical
Constants" (http://physics.nist.gov/cuu/constants).
4. J. J. Sakurai (1994). Modern Quantum Mechanics. Addison-Wesley. p. 139. ISBN 0-201-53929-2.
5. Robert Littlejohn (2012). "Physics 221a class notes 4: Spatial Degrees of Freedom" (http://bohr.physics.berkeley.edu/
classes/221/1112/221.html).
6. Damascelli, Andrea; Zahid Hussain; Zhi-Xun Shen (2003). "Angle-resolved photoemission studies of the cuprate
superconductors". Reviews of Modern Physics. 75 (2): 473. arXiv:cond-mat/0208504 (https://arxiv.org/abs/cond-mat/0
208504)  . Bibcode:2003RvMP...75..473D (http://adsabs.harvard.edu/abs/2003RvMP...75..473D).
 doi:10.1103/RevModPhys.75.473 (https://doi.org/10.1103%2FRevModPhys.75.473).

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