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

irreptypical 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.

References

  1. [missing reference] (↩︎)
  2. [missing reference] (↩︎)

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