D₂h Representation Bookkeeping
This appendix records the minimal point-group bookkeeping used later when discussing orthorhombic multiorbital Hamiltonians. It is a local point-group guide, not a replacement for a full space-group or little-group analysis of a nonsymmorphic material [1, 2].
The conventional assignments for the coordinate axes used in this thesis are
| irrep | typical basis functions |
|---|---|
| , , , | |
| , | |
| , | |
| , | |
Thus polar-vector components transform as
while axial-vector components transform as
Spin components transform in the same way as angular momentum,
Because is Abelian, all irreducible representations are one-dimensional. Direct products can therefore be computed by multiplying the inversion parity and the three labels. Useful examples are
and
For an onsite interorbital SOC term of the form
the invariant condition is
Therefore an onsite term is allowed only if
Equivalently, if the two retained orbitals transform as and , then the corresponding interorbital matrix element is allowed when
For a momentum-dependent term,
the condition becomes
For example, a term has and is allowed if
Since , this requires
The same logic applies to all Pauli-matrix terms in an effective Hamiltonian. The caveat is that nonsymmorphic space groups, including , can enforce additional momentum-dependent degeneracies and compatibility relations. Those require the full little-group representation at the relevant , not only the local multiplication table.