Crystallography & Symmetry
patterns derived from their groups
Concept

Superspace — where it appears

A periodic lattice in more than three dimensions whose three-dimensional cut is an aperiodic structure. A modulated crystal, a composite and a quasicrystal are all cuts of this kind, and each recovers a group and a set of systematic absences once the extra dimensions are admitted.

Named by 5 essays across one field — each of them below, with the objects they name alongside it.

The chain as a cut through a periodic pattern. A periodic pattern in two dimensions: one atomic surface through each lattice point, drawn as the curve x = n + A·sin(2πy). The physical chain is the cut along the line y = qx with q = 0.211, and the atoms are where that line meets the curves — plotted along the bottom. Every cut meets every curve exactly once, so every cut gives a chain with the same 9 atoms and the same lattice, differently displaced. That is the difference from cut-and-project, where the atomic surfaces are intervals with ends and moving the cut adds and removes points: here the extra coordinate is a phase, and shifting it is a symmetry of the material rather than a different material.

The extra dimension that makes it periodic

A structure with no cell in three dimensions can be a slice through one that has a cell in four. The construction is cut-and-project with continuous atomic surfaces instead of intervals — and that single difference is what separates an incommensurate crystal from a quasicrystal.

aperiodic · Modulation two chains, periods 1 and 1.62. Two interpenetrating chains of atoms with periods 1 and 1.62, whose ratio is irrational, so no length is a whole number of both. Each chain is displaced from its own lattice by a wave with the other's period — the short ticks show each atom's displacement from where an unmodulated chain would put it — which is what makes this one crystal rather than two side by side. Nothing here is a unit cell: any length chosen contains a whole number of one chain's atoms and a fractional number of the other's.

Two lattices, one crystal, and no cell at all

A modulated crystal has a lattice and a wave running through it. A composite has neither host nor guest: two interpenetrating substructures with periods that share no common multiple, each modulating the other. Every reflection needs an index from both, and the unit cell a diffractometer reports belongs to whichever half scattered harder.

aperiodic · Modulation 21 superspace groups in (2+1) dimensions, from 31 names. The whole count, in the order it is built. Thirteen arithmetic classes of the plane; six of them admit an incommensurate wavevector; those six give ten sign assignments; each assignment contributes the plane cohomology times the internal cohomology, which is thirty-one names; and the names are merged by the changes of basis that are relabellings — a change of the plane basis, which moves the sign assignment and the internal cocycle with it, and the choice of q against −q. The last row is what the count would be if the two factors were quotiented separately, which over-counts because the merge is not independent of the internal part.

Superspace groups in the plane

A modulated crystal has no space group, and in a space of one more dimension it has one. Counting them in the plane is the seventeen's own extension arithmetic with a third coordinate on which the point group acts by a sign — and the sign has to be plus or minus exactly, which kills the three-fold, four-fold and six-fold classes before a single extension is counted.

aperiodic · Modulation Three ways to fill a lattice with a wave. Three occupation waves at the same irrational wavevector, each drawn as its profile over one period, the occupancy of a site as a function of where the wave stands there, and as the first thirty sites of the chain it produces, each filled in proportion to its occupancy. A cosine fills every site partly. A crenel of width 0.3 fills three sites in ten completely and leaves the rest empty. A crenel of width 1/φ fills sites exactly where the Fibonacci chain has its long letter, so the third row is that chain written as two species on a lattice.

An occupation wave is its own Fourier series

A modulated crystal whose atoms stay put while a wave decides how much of an atom sits on each site diffracts to satellites, and the satellite of each order is simply the matching Fourier coefficient of the wave's profile. A cosine stops at first order and can never exceed a quarter of a site; a step makes satellites of every order, skips exactly the orders its width divides, and makes the strongest first-order satellite any wave can. And a step as wide as its own wavevector is the Fibonacci chain.

aperiodic · Modulation Two waves that are each symmetric enough make a lopsided pair. The first-order satellite amplitudes at h − q and h + q around the main reflections h = 1 to 4, for three chains: an occupation wave on the lattice, whose pairs are equal; the strain wave alone, the displacement the size effect produces with every site equally full, whose satellites are weak and grow with h; and both together. Together the pairs are unequal, the low side stronger, by an amount that grows from one reflection to the next — an imbalance neither wave has on its own, from a displacement of less than a hundredth of a spacing.

The strain wave that tips the satellites

An occupation wave puts equal satellites on both sides of every main reflection, and a strain wave a hundredth of a lattice spacing high is enough to tip them. Real composition waves drag such a strain with them, because atoms of different sizes want different spacings, and the tilt that results is not a nuisance. To first order it does not depend on how strong the occupation wave is at all. It reads the size mismatch directly, and its sign says which species is the larger.

aperiodic · Modulation

Named alongside it

The objects these essays reach for when they reach for this one.

ModulationIncommensurateSatellite reflectionCut-and-projectThe Fourier transformOccupancyArithmetic classAtomic surfaceBessel functionCohomologyCommensurateComposite crystal

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