spinw.setmatrix method

Syntax

setmatrix(obj,Name,Value)

Description

setmatrix(obj,Name,Value) sets the value of a selected matrix based on symmetry analysis.

Examples

This example will set ‘J1’ coupling to the 6th symmetry allowed matrix, with prefactor 0.235.

setmatrix(crystal,'label','J1','pref',{[6 0.235]})

This will set ‘J2’ to antiferromagnetic Heisenberg exchange, with value of 1.25 meV.

setmatrix(crystal,'label','J2','pref',{1.25})

Input Arguments

obj: spinw object.

Name-Value Pair Arguments

One of the below options has to be given:

'mat': Label or index of the matrix that is already assigned to a bond, anisotropy or g-tensor.
'bond': Index of the bond in spinw.coupling.idx, e.g. 1 for first neighbor.
'subIdx': Selects a certain bond within the symmetry equivalent bonds, within default value is 1.
'aniso': Label or index of the magnetic atom that has a single ion anisotropy matrix is assigned, e.g. 'Cr3' to select anisotropy on atoms with this label.
'gtensor': Label or index of the magnetic atom that has a g-tensor is assigned.

Optional inputs:

'pref'

Defines prefactors as a vector for the symmetry allowed components in a row vector with \(n_{symMat}\) number of elements. Alternatively, if only a few of the symmetry allowed matrices have non-zero prefactors, use:

{[6 0.1 5 0.25]}

This means, the 6th symmetry allowed matrix have prefactor 0.1, the 5th symmetry allowed matrix have prefactor 0.25. Since Heisenberg isotropic couplings are always allowed, a cell with a single element will create a Heisenberg coupling, example:

{0.1}

This is identical to obj.matrix.mat = eye(3)*0.1. For DM interactions (antisymmetric coupling matrices), use three element vector in the cell:

{[D1 D2 D3]}

In this case, these will be the prefactors of the 3 antisymmetric symmetry allowed matrices. In case no crystal symmetry is defined, these will define directly the components of the DM interaction in the \(xyz\) coordinate system. Be carefull with the sign of the DM interaction, it depends on the order of the two interacting atoms! Default value is {1}. For anisotropy matrices antisymmetric matrices are not allowed.

Output Arguments