spinw.addaniso method

assigns anisotropy to magnetic sites

Syntax

addaniso(obj, matrixIdx, {atomTypeIdx}, {atomIdx})

Description

addaniso(obj, matrixIdx, {atomTypeIdx}, {atomIdx}) assigns the $[3\times 3]$ matrix selected by matrixIdx (using either the matrix label or matrix index) to the magnetic sites selected by atomTypeIdx that can contain a name of an atom or its atom index (see spinw.atom). If atomTypeIdx is not defined, anisotropy will be assigned to all magnetic atoms.

Examples

To show the effect of a fourfold axis on anisotropy, we add $A_1$ easy-axis anisotropy to atoms at $(1/4,1/4,1/2)$ and plot the result. The 3D plot shows anistropy using ellipsoid around the magnetic atoms.

cryst = spinw
cryst.genlattice('lat_const',[4 4 3],'spgr','P 4')
cryst.addatom('r',[1/4 1/4 1/2],'S',1)
cryst.addmatrix('label','A1','value',diag([-0.1 0 0]))
cryst.gencoupling
cryst.addaniso('A1')
plot(cryst)

Input arguments

obj: spinw object.

Name-Value Pair Arguments

matrixIdx: Either an integer, that selects the matrix according to obj.matrix.mat(:,:,matrixIdx), or a string identical to one of the previously defined matrix labels, stored in obj.matrix.label.
atomTypeIdx: String or cell of strings that select magnetic atoms by their label. Also can be a vector that contains integers, the index of the magnetic atoms in obj.unit_cell, with all symmetry equivalent atoms. Maximum value is $n_{atom}$ , if undefined anisotropy is assigned to all magnetic atoms. Optional.
atomIdx: A vector that contains indices selecting some of the symmetry equivalent atoms. Maximum value is the number of symmetry equivalent atoms generated corresponding to atomTypeIdx site. If crystal symmetry is not 0, atomIdx is not allowed, since the anisotropy matrix for equivalent atoms will be calculated using the symmetry operators of the space group. Optional.

Output Arguments

The function adds extra entries in the obj.single_ion.aniso field of the obj spinw object.