Crystallography & Symmetry
patterns derived from their groups
Concept

Molien series — where it appears

The power series whose coefficients count a group's independent invariants of each degree, obtained by averaging one over det(I − tM) across the group. In the plane it expands by an integer recursion on traces and determinants.

Named by 6 essays across 2 fields — each of them below, with the objects they name alongside it.

The invariant degrees exist for every n; the lattice permits five of them. The reflection group with an n-fold rotation has an invariant ring generated in degrees 2 and n, for every n whatever — the dimensions on the right are counted by pairing monomials in complex coordinates, which needs no matrix and therefore no lattice. Five of these groups can be written in integer matrices, and those five are named in the middle column; the rest cannot, because a lattice has no five-fold or seven-fold rotation. The crystallographic restriction is usually a statement about traces of matrices. Here it is the statement that only five of these invariant rings belong to a crystal, and the two arguments have nothing in common but their answer.

The degrees that name the restriction

The reflection group with an n-fold rotation has invariants of degrees 2 and n — for every n, with no lattice anywhere in the argument. Which of those groups a crystal may have is then the only question left, and its answer is the crystallographic restriction arriving from a direction nobody points it from.

restriction · Restriction 4mm: how many independent invariants there are at each degree. The number of independent polynomial invariants of the plane point group 4mm, one bar per degree from 0 to 8. The heights are the coefficients of the Molien series, computed from an integer recursion on the trace and determinant of each operation. A dot above a bar marks a degree where the same number has been computed a second way, by averaging every monomial of that degree over the group and taking the rank of the result — a computation sharing no code with the first. The two agree at every degree checked. Degrees where the bar is absent hold no invariant at all: for 4mm that is every odd degree below the first invariant, and it is a statement about which functions the group refuses to leave alone.

How many invariants of each degree

A group moves the plane about, and some polynomials do not notice. How many independent ones there are at each degree is a sequence of integers, computed here by a recursion on traces and again by averaging every monomial — two routes that share no code and agree everywhere.

point-groups · Invariants Six of the ten plane classes have a free invariant ring, and four do not. Every plane point group, with the degrees of the generators of its invariant ring, whether the ring is free, and the relation where it is not. The six generated by their own reflections — 1, m, 2mm, 4mm, 3m and 6mm — have two generators whose degrees multiply to the order of the group, which is Chevalley's theorem checked rather than quoted. The four without reflections — 2, 4, 3 and 6 — need three generators in two variables, so one polynomial relation ties them together, and the degree that relation appears at is printed at the right of its row. Nothing here is a lookup: the generators are found degree by degree as the invariants the earlier ones do not reach, and the relation is the kernel of the map back to polynomials.

The groups whose invariants are free

Six of the ten plane classes have an invariant ring generated by two polynomials with no relation between them, and the six are exactly those generated by their own reflections. The degrees of those generators multiply to the order of the group, and their excess counts the reflections.

point-groups · Invariants 4: three generators in two variables, and the one relation between them. The invariant ring of 4 needs 3 generators, of degrees 2, 4, 4, and three functions of two variables cannot be algebraically independent. The relation between them is found rather than quoted: every monomial in the generators of the degree at which they can first be dependent is written out, the map back to polynomials in x and y is formed, and its kernel is the relation. It is then evaluated at points of the lattice, where all three generators take integer values and the combination comes to exactly zero. A group with a reflection has no such relation, which is the same statement as its ring being free.

Three invariants and one relation

Four of the ten plane classes need three invariants where two variables can only support two, so exactly one polynomial identity ties them together. The identity is not recognised or recalled: it is the kernel of a linear map, computed and then checked at lattice points where every term is an integer.

point-groups · Invariants Which order parameters carry a cubic invariant, and therefore cannot grow from zero. Every order parameter of every plane class, with the number of independent cubic invariants it admits. The count is the degree-three coefficient of the Molien series of the representation's image — the same computation the invariant-ring figures make for a different reason — and Landau's condition is that it be zero. Where it is not, a free energy in that order parameter has a term of odd degree, which puts its minimum away from zero the moment the quadratic coefficient does anything at all, so the parameter jumps rather than growing. In the plane exactly two order parameters carry one, and both are the two-dimensional representation of a class with a threefold axis and no sixfold.

The cubic term that forbids a continuous change

A crystal may lose a symmetry gradually only if the quantity measuring the loss admits no cubic invariant. Whether it does is the third coefficient of a Molien series — so a question about how a material changes is answered by counting polynomials.

point-groups · Invariants How many components a property may have, at each rank and in each class. One row per plane point group, one column per rank of a fully symmetric property tensor, with the number of independent components in each cell — counted by averaging the tensor over the group index by index, and equal at every entry to the Molien coefficient of that degree. A symmetric property of rank r is a form of degree r, so Neumann's principle and the invariant ring are the same arithmetic in two notations. The last column is the elastic tensor, which is not fully symmetric — symmetric within each pair of indices and under exchanging the pairs — and its counts are not in the table to its left. A property with its own symmetries needs its own average, and that is why the elastic constants are not read off a degree.

The parts a property splits into

A symmetric property of rank r is a polynomial of degree r wearing indices, so the number of components a class permits it is a coefficient of an invariant ring's series. The elastic tensor is not a polynomial in disguise, and its counts are not in that table — which is the most useful thing about it.

point-groups · Neumann's principle

Named alongside it

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

Invariant polynomialInvariant ringReflection groupAlgebraic independenceAveraging projectorChevalley theoremCubic invariantHypersurfaceInvariant degreesPoint groupSyzygyCharacter

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