Computes spin Hamiltonians for the manifolds of an exchange-coupled spin pair in the strong-exchange limit.
CSys = spinladder(Sys) [CSys,En] = spinladder(Sys) ... = spinladder(Sys,Temp) spinladder(...)
Given a exchange-coupled two-electron-spin system in Sys
, this function computes the spin Hamiltonians for the various spin manifolds in the coupled representation,
incl. g, A and D tensors, assuming the strong-exchange limit.
CSys
is a cell array that contains the coupled-spin systems sorted by energy.
En
contains the center-of-gravity energies as determined by the exchange coupling. If no output is requested, spinladder prints some information about the coupled manifolds.
If a temperature (in kelvin) is given, populations for each manifold are computed and returned in the fields CSys{:}.weight
. These populations are total
populations for the manifold, and not per-level populations.
Here is the coupling of a Mn(II) dimer. The uncoupled spin system is
Sys.S = [5/2 5/2]; Sys.g = [2 2]; Sys.A = [250 0; 0 250]; Sys.Nucs = '55Mn,55Mn'; Sys.D = [1 1]*-2.3*30e3; Sys.J = -30*30e3;
Calling spinladder
for this system with a temperature of 293 K,
but without output yields
spinladder(Sys,293)
S1 = 2.5, S2 = 2.5 (total 12 electronic states) 6 manifolds: S = 0 (1 electronic states) energy 7875 GHz, population 0.00592/state, 0.00592 total S = 1 (3 electronic states) energy 6975 GHz, population 0.00686/state, 0.0206 total S = 2 (5 electronic states) energy 5175 GHz, population 0.00921/state, 0.0461 total S = 3 (7 electronic states) energy 2475 GHz, population 0.0143/state, 0.1 total S = 4 (9 electronic states) energy -1125 GHz, population 0.0259/state, 0.233 total S = 5 (11 electronic states) energy -5625 GHz, population 0.054/state, 0.594 total
spinladder
computes the magnetic parameters for the individual manifold spins in the coupled representation.
CSys = spinladder(Sys,293); CSys{2}
ans = S: 4 g: 2 D: [6.5714e+003 6.5714e+003 -1.3143e+004] ee: -900000 lwpp: 4 weight: 0.2327
spinladder
uses expressions from the Bencini/Gatteschi book, p.53-54, derived under the assumption that the isotropic exchange interaction is much larger than any other interaction in the system (strong-exchange limit).
This means that spinladder
cannot be used for spin systems with intermediate or weak exchange.