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Reciprocal space (also called k-space) provides a way to visualize the results of the Fourier transform of a spatial function. It is similar in role to the frequency domain arising from the Fourier transform of a time dependent function; reciprocal space is a space over which the Fourier transform of a spatial function is represented at spatial frequencies or wavevectors of plane waves of the ...
This free software had an earlier incarnation, Macsyma. Developed by Massachusetts Institute of Technology in the 1960s, it was maintained by William Schelter from 1982 to 2001. In 1998, Schelter obtained permission to release Maxima as open-source software under the GNU General Public license and the source code was released later that year ...
This means that X-rays are seemingly "reflected" off parallel crystal lattice planes perpendicular at the same angle as their angle of approach to the crystal with respect to the lattice planes; in the elastic light (typically X-ray)-crystal scattering, parallel crystal lattice planes perpendicular to a reciprocal lattice vector for the crystal ...
This is based on the fact that a reciprocal lattice vector (the vector indicating a reciprocal lattice point from the reciprocal lattice origin) is the wavevector of a plane wave in the Fourier series of a spatial function (e.g., electronic density function) which periodicity follows the original Bravais lattice, so wavefronts of the plane wave ...
In the nearly free electron approximation, interactions between electrons are completely ignored. This approximation allows use of Bloch's Theorem which states that electrons in a periodic potential have wavefunctions and energies which are periodic in wavevector up to a constant phase shift between neighboring reciprocal lattice vectors.
Fig. 1: A hexagonal sampling lattice and its basis vectors v 1 and v 2 Fig. 2: The reciprocal lattice corresponding to the lattice of Fig. 1 and its basis vectors u 1 and u 2 (figure not to scale). The concept of a bandlimited function in one dimension can be generalized to the notion of a wavenumber-limited function in higher dimensions.
The reciprocal lattices (dots) and corresponding first Brillouin zones of (a) square lattice and (b) hexagonal lattice. In mathematics and solid state physics , the first Brillouin zone (named after Léon Brillouin ) is a uniquely defined primitive cell in reciprocal space .
The dispersion relations show conics of the free-electron energy dispersion parabolas for all possible reciprocal lattice vectors. This results in a very complicated set intersecting of curves when the dispersion relations are calculated because there is a large number of possible angles between evaluation trajectories, first and higher order ...