Crystallography & Symmetry
patterns derived from their groups
Concept

Trace — where it appears

The sum of a matrix's diagonal entries, which no change of basis alters. It is why a rotation's order can be read off an integer matrix without asking what angle anything turns through, and it is the whole of the crystallographic restriction.

Named by 7 essays across 2 fields — each of them below, with the objects they name alongside it.

The five rotations a lattice will carry. One motif and every rotation a plane lattice permits: orders 1, 2, 3, 4, 6, and nothing else up to 12. Each panel turns the motif by its own operation as many times as the order allows, on the lattice that operation requires — oblique for the identity and the half turn, hexagonal for the third and the sixth of a turn, square for the quarter. The trace printed under each is the sum of the diagonal of the operation's matrix written in the lattice's own basis, and it is a whole number in every panel, which is the entire content of the crystallographic restriction. The list of orders is produced twice, once from that trace condition and once from the degree of a cyclotomic polynomial, and the figure refuses to draw if the two disagree.

The crystallographic restriction

A repeating pattern may have rotations of order two, three, four or six, and nothing else whatever. The proof is one line of arithmetic, and everything finite in the subject descends from it.

restriction · Restriction The crystal classes 4, 4̅, 3̅, 6̅. 4, 4̅, 3̅, 6̅: the orbit of a general direction under each group, giving 4, 4, 6, 6 poles, with general positions and symmetry elements. Filled marks are poles above the plane of the page and open ones below it.

What a trace decides

Ten kinds of operation, and two integers tell them apart. The determinant and the trace name a symmetry operation completely — which is why the classification can be run on integer matrices in a lattice basis and never once ask what angle anything turns through.

point-groups · Crystal classes Neumann's principle for elastic constants in mmm. Each bar is one operation's contribution to the character of the representation the elastic constants live in — the stiffness of the crystal in every direction and shear. The identity contributes the unconstrained count of 21; every other operation of mmm subtracts from it, and the average over all 8 is 9, which is how many independent components the property may have. The sum is exact in integers and is taken in the lattice basis, so no Cartesian frame is chosen anywhere in it.

Neumann's principle, as one sum

A physical property of a crystal must be unchanged by every symmetry the crystal has. That is a whole subject in one sentence, and it reduces to arithmetic: how many independent components a property may have is a character averaged over the point group, exact in integers.

point-groups · Neumann's principle Neumann's principle for elastic constants in 6/mmm. Each bar is one operation's contribution to the character of the representation the elastic constants live in — the stiffness of the crystal in every direction and shear. The identity contributes the unconstrained count of 21; every other operation of 6/mmm subtracts from it, and the average over all 24 is 5, which is how many independent components the property may have. The sum is exact in integers and is taken in the lattice basis, so no Cartesian frame is chosen anywhere in it.

A character does not know its basis

The number of independent elastic constants a hexagonal crystal has is computed here from integer matrices in a lattice basis, having never chosen a Cartesian frame. That looks wrong the first time: a physical tensor lives in an orthonormal frame and these matrices are not orthogonal.

point-groups · Neumann's principle Rotation orders 1, 2, 3, 4, 6 and no others. Every net in this collection, with the orders of the rotations its own symmetry group has, and the degrees of its vertices beside them. The orders are 1, 2, 3, 4, 6 — the crystallographic restriction, arrived at with no length anywhere in the argument: the translations of a net are ℤ² by construction, an automorphism carries translations to translations, so it acts on ℤ² by an integer matrix, and an integer trace in the interval from minus two to two is one of five numbers. The degree column is there because the two are constantly confused: a net may perfectly well have vertices of degree five, and one here does.

The restriction, with no lattice assumed

The proof that only two-, three-, four- and six-fold rotations are possible is usually stated about a lattice, and every step of it turns out to need no lengths at all. A periodic graph has the same theorem, proved the same way — and a graph may have a five-fold symmetry the plane cannot receive.

restriction · Restriction 12 of the thirty-two classes have a free invariant ring. Every crystal class with its order, the number of its operations that are reflections, whether its ring of invariant polynomials is free, and the degrees of the generators when it is. A reflection here is an operation of determinant minus one whose fixed set is a plane; an inversion centre has determinant minus one and fixes only the origin and is not one. The classes with a free ring are exactly the classes generated by their reflections, which is Chevalley's theorem checked rather than quoted.

Twelve of the thirty-two are free

A crystal class leaves some polynomials alone, and the ones it leaves alone form a ring. For twelve of the thirty-two classes that ring is generated by three polynomials with no relation between them, and for the other twenty it is not — and the twelve are exactly the classes generated by their mirror planes. The two verdicts are computed by routes sharing no code, and an inversion centre is not a mirror.

point-groups · Invariants Thirty-two classes, from fourteen Gram matrices. The five hundred and ten subgroups sorted by how many operations of each kind they contain — a determinant and a trace decide which of the ten kinds a matrix is. Thirty-two answers come out, and they are the thirty-two crystal classes: matched against the construction elsewhere in this collection by signature rather than by name, since nothing here names a point group.

Thirty-two from fourteen matrices

Write the fourteen Bravais lattices as Gram matrices, ask each one which integer matrices preserve it, and take every subgroup of every answer: five hundred and ten of them. Sort those by how many operations of each kind they contain — which a determinant and a trace decide — and thirty-two answers come out. They are the crystal classes, from a construction in which no point group is ever named.

point-groups · The fourteen Bravais lattices

Named alongside it

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

InvariantPoint groupCharacterCrystallographic restrictionRepresentationCrystal classHolohedryInteger matrixNeumann principleTensorAutomorphismBasis

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