Spin spirals

Generalized Bloch condition

Spin spirals may be conveniently modeled using a generalization of the Bloch condition (set LNONCOLLINEAR=.TRUE. and LSPIRAL=.TRUE.):

$\left[ \begin{array}{c} \Psi^{\uparrow}_{\bf k}(\bf r) \\ \Psi^{\downarrow}_{\bf k}(\bf r) \end{array} \right] = \left( \begin{array}{cc} e^{-i\bf q \cdot \bf R / 2} & 0\\ 0 & e^{+i\bf q \cdot \bf R / 2} \end{array}\right) \left[ \begin{array}{c} \Psi^{\uparrow}_{\bf k}(\bf r-R) \\ \Psi^{\downarrow}_{\bf k}(\bf r-R) \end{array} \right],$

i.e., from one unit cell to the next the up- and down-spinors pick up an additional phase factor of $\exp(-i{\bf q}\cdot {\bf R}/2)$ and $\exp(+i{\bf q}\cdot {\bf R}/2)$, respectively, where R is a lattice vector of the crystalline lattice, and q is the so-called spin-spiral propagation vector.

The spin-spiral propagation vector is commonly chosen to lie within the first Brillouin zone of the reciprocal space lattice, and has to be specified by means of the QSPIRAL-tag.

The generalized Bloch condition above gives rise to the following behavior of the magnetization density:

${\bf m} ({\bf r} + {\bf R})= \left( \begin{array}{c} m_x({\bf r}) \cos({\bf q} \cdot {\bf R}) - m_y({\bf r}) \sin({\bf q} \cdot {\bf R}) \\ m_x({\bf r}) \sin({\bf q} \cdot {\bf R}) + m_y({\bf r}) \cos({\bf q} \cdot {\bf R}) \\ m_z({\bf r}) \end{array} \right)$

This is schematically depicted in the figure at the top of this page: the components of the magnization in the xy-plane rotate about the spin-spiral propagation vector q.