Getting Started ...

First some important notes .... this manual does neither give an introduction into the theory of magnetism nor a description of the experimental techniques. In order to use the program successfully, some basic knowledge of crystal field theory and the mean field approximation is required, see for instance [1]. In order to compare the output of the calculation with experimental data, it is recommended to be familiar with experimental techniques used in the investigation of magnetic properties such as magnetisation, susceptibility, specific heat, magnetostriction measurements and neutron scattering.

Using McPhase for the first time, the reader should


Table 1: Description of the example calculations, which come along with the program package McPhase in directory examples:
compound problem single ion references
    module  
CeCu$_2$ mag phase diagram, fit of dispersive mag. excitations to neutron data kramer [4,5]
CePd$_2$Si$_2$ neutron diffraction going beyond dipolar approx for mag. formfactor so1ion [6]
CoO magnetic formfactor - flipping ratios, highly inelastic neutron scattering ic1ion  
DyCu$_2$ quadrupolar order and phase diagram cfield [7]
DyNi$_2$B$_2$C magnetic phase diagram, special single ion module (quasiquartet) quartett.so  
ErNi$_2$B$_2$C magnetostriction and phase diagram cfield [8]
Gd$_3$GaO$_6$ pointcharge model calculation of crystal field parameters    
GdNi$_2$B$_2$C magnetostriction and phase diagram, spin only (L=0) brillouin [8]
GdRu$_2$Si$_2$ biquadratic interactions - magnetisation, magnetic structure cfield  
helix_spinwave spinwave calculation for a helical magnetic structure so1ion  
Ho$_2$Ti$_2$O$_7$ diffuse magnetic scattering so1ion [9]
LaCoO$_3$ spin polarons quasielastic scattering cluster [10,11]
La$_2$CoO$_4$ dispersive magnetic excitations / spinwaves ic1ion [12]
LuMnO$_3$ magnetic structure and dispersion of excitations so1ion [12]
NdBa$_2$Cu$_3$O$_7$ fit of magnetic neutron diffraction data going beyond dipapprox cfield [6]
NdCu$_2$ crystal field, magnetic structure, phase diagrams, excitations cfield [13,14,2,15,16]
NiO INS and RIXS on NiO so1ion  
PrNi$_2$B$_2$C crystal field - fit to neutrons,cp, susc cfield [17]
PrNi$_2$Si$_2$ excitons in an amplitude modulated mag structure so1ion [18]
Pr$_3$Pd$_{20}$Si$_6$ hyperfine interactions cluster  
PuPd$_3$ susceptibility, heat capacity ic1ion [19]
TbCu$_2$ magnetic phases with field parallel $a$ cfield  
testic1ion Pr$^{3+}$ chargedensity in IC and LS coupling ic1ion,cfield  
tungsten phonons in tungsten phonon  
UPd$_3$ dispersive CEF excitations, quadrupolar interactions so1ion [20]

Martin Rotter 2017-01-10