spinw.addg method

Syntax

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

Description

addg(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, g-tensor will be assigned to all magnetic atoms.

Examples

The following example will add the \(g_1\) diagonal matrix to all magnetic atoms as anisotropic g-tensor and show the effect of a fourfold axis:

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','g_1','value',diag([2 1 1]))
cryst.gencoupling
cryst.addg('g_1')
cryst.plot('ionMode','g')

Input Arguments

matrixIdx

Either an integer, that selects the matrix obj.matrix.mat(:,:,matrixIdx), or a string identical to one of the previously defined matrix labels, stored in obj.matrix.label. Maximum value is \(n_{mat}\).

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 spinw.unit_cell, this will assign the given g-tensor to all symmetry equivalent atoms. Maximum value is \(n_{atom}\). If atomTypeIdx is not defined, the given g-tensor will be 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 corresponding to atomTypeIdx. If the crystal symmetry is higher than \(P0\), atomIdx is not allowed, since the g-tensor for equivalent atoms will be calculated using the symmetry operators of the space group. Optional.

Output Arguments

The function adds extra entries to the obj.single_ion.g matrix.

See Also

spinw | spinw.addcoupling | spinw.addaniso | spinw.addmatrix