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
name / | problem | single ion | references |
compound | module | ||
bfk | Becker Fulde Keller Theorie for | so1ion | [4], |
CF-conduction electron interaction | App. N | ||
Ce3p_chain_cfphonon | Crystal Field Phonon int. on linear chain, | phonon | |
CF striction, theory paper | so1ion | ||
Ce3p_tetragonal_prim | Crystal Field Phonon interaction | phonon | |
on primitive lattice, CF magnetostriction | so1ion | ||
CeAl2_cfphonon_cfstr | CeAl![]() |
phonon, | |
CEF magnetostriction | so1ion | ||
CeCu![]() |
mag phase diagram, fit of dispersive | kramer | [5,6] |
mag. excitations to neutron data | |||
CeCu![]() ![]() |
crystal field - phonon int., Becker & DMD method | phonon, bcfph | |
CePd![]() ![]() |
neutron diffraction going beyond | so1ion | [7] |
dipolar approx for mag. formfactor | |||
CoO | magnetic formfactor - flipping ratios, | ic1ion | |
highly inelastic neutron scattering | |||
DyCu![]() |
quadrupolar order and phase diagram | cfield | [8] |
DyNi![]() ![]() |
magnetic phase diagram, special single | quartett.so | |
ion module (quasiquartet) | |||
ErNi![]() ![]() |
magnetostriction and phase diagram | cfield | [9] |
Gd![]() ![]() |
pointcharge model for crystal field parameters | pointc | |
GdNi![]() ![]() |
double-q magnetic structure, spin only (L=0) | brillouin | [9,10] |
GdRu![]() ![]() |
biquadratic interactions - magnetisation, mag. structure | cfield | |
helix_spinwave | spinwave calculation for a helical magnetic structure | so1ion | |
Ho![]() ![]() ![]() |
diffuse magnetic scattering | so1ion | [11] |
LaCoO![]() |
spin polarons quasielastic scattering | cluster | [12,13] |
La![]() ![]() |
dispersive magnetic excitations / spinwaves | ic1ion | [14] |
LuMnO![]() |
magnetic structure and dispersion of excitations | so1ion | [14] |
NdBa![]() ![]() ![]() |
fit of magnetic neutron diffraction | cfield | [7] |
data going beyond dipapprox | |||
NdCu![]() |
crystal field, magnetic structure, | cfield | [15,16,2,17,18] |
phase diagrams, excitations | |||
NiO | INS and RIXS on NiO | so1ion | |
PrNi![]() ![]() |
crystal field - fit to neutrons,cp, susc | cfield | [19] |
PrNi![]() ![]() |
excitons in an amplitude modulated mag structure | so1ion | [20] |
Pr![]() ![]() ![]() |
hyperfine interactions | cluster | |
PuPd![]() |
susceptibility, heat capacity | ic1ion | [21] |
Ru3p_create_sipf | how to create paramters for a sipf file from | simannfit,cowan | [22] |
a Hartree Fock Calculation | RCN36K,RCN2K | ||
TbCu![]() |
magnetic phases with field parallel ![]() |
cfield | |
test_cluster | test of a binary cluster of two spins | cluster | |
testic1ion | Pr![]() |
ic1ion,cfield | |
tungsten | phonons in tungsten | phonon | |
UPd![]() |
dispersive CEF excitations, quadrupolar interactions | so1ion | [23] |