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
compound | problem | single ion | references |
module | |||
CeCu | mag phase diagram, fit of dispersive mag. excitations to neutron data | kramer | [4,5] |
CePdSi | neutron diffraction going beyond dipolar approx for mag. formfactor | so1ion | [6] |
CoO | magnetic formfactor - flipping ratios, highly inelastic neutron scattering | ic1ion | |
DyCu | quadrupolar order and phase diagram | cfield | [7] |
DyNiBC | magnetic phase diagram, special single ion module (quasiquartet) | quartett.so | |
ErNiBC | magnetostriction and phase diagram | cfield | [8] |
GdGaO | pointcharge model calculation of crystal field parameters | ||
GdNiBC | magnetostriction and phase diagram, spin only (L=0) | brillouin | [8] |
GdRuSi | biquadratic interactions - magnetisation, magnetic structure | cfield | |
helix_spinwave | spinwave calculation for a helical magnetic structure | so1ion | |
HoTiO | diffuse magnetic scattering | so1ion | [9] |
LaCoO | spin polarons quasielastic scattering | cluster | [10,11] |
LaCoO | dispersive magnetic excitations / spinwaves | ic1ion | [12] |
LuMnO | magnetic structure and dispersion of excitations | so1ion | [12] |
NdBaCuO | fit of magnetic neutron diffraction data going beyond dipapprox | cfield | [6] |
NdCu | crystal field, magnetic structure, phase diagrams, excitations | cfield | [13,14,2,15,16] |
NiO | INS and RIXS on NiO | so1ion | |
PrNiBC | crystal field - fit to neutrons,cp, susc | cfield | [17] |
PrNiSi | excitons in an amplitude modulated mag structure | so1ion | [18] |
PrPdSi | hyperfine interactions | cluster | |
PuPd | susceptibility, heat capacity | ic1ion | [19] |
TbCu | magnetic phases with field parallel | cfield | |
testic1ion | Pr chargedensity in IC and LS coupling | ic1ion,cfield | |
tungsten | phonons in tungsten | phonon | |
UPd | dispersive CEF excitations, quadrupolar interactions | so1ion | [20] |
Martin Rotter 2017-01-10