From Spinach Documentation Wiki
Jump to: navigation, search

Three-pulse DEER pulse sequence. Idealized hard pulses are used, each pulse only affects its specific electron or transition, depending on the pulse operators supplied.




  parameters.rho0            initial state

  parameters.coil_prob       detection state on probe spin

  parameters.stepsize        increment time for the pump pulse

  parameters.nsteps          number of steps for the pump pulse

  parameters.ex_prob         excitation operators to be used for
  parameters.ex_pump         the probe and pump electron respec-

  parameters.output          'brief' returns just the DEER trace,
                             'detailed' also returns excitation 
                              profiles and the EPR spectrum.

  H  - Hamiltonian matrix, received from context function

  R  - relaxation superoperator, received from context function

  K  - kinetics superoperator, received from context function

If 'detailed' is selected as the output option, the following parameters are also required:

  parameters.ex_hard          hard pulse excitation operator

  parameters.spectrum_sweep   sweep width of the EPR spectrum, Hz

  parameters.spectrum_nsteps  number of time steps in the FID

  parameters.coil_pump        detection state on pump spin


  deer.hard_pulse_fid  - ('detailed') free induction decay
                         after a non-selective ideal pulse

  deer.prob_pulse_fid  - ('detailed') free induction decay
                         after just the the probe pulse

  deer.pump_pulse_fid  - ('detailed') free induction decay
                         after just the pump pulse

  deer.deer_trace      - DEER signal


A simulation of a system with two Gd(III) ions, probe transition at the edge of the spectrum and pump transition at the centre of the spectrum (examples/esr_solids/hard_3_pulse_deer_gd_2.m), is shown below.

3p deer.png

The "noise" comes from incomplete spherical averaging.


Hard pulses are only appropriate for spin-1/2 systems; for higher spin systems transition selective pulse operators must be supplied - see the example set.

See also

deer_3p_hard_echo.m, deer_3p_soft_deer.m, deer_3p_soft_diag.m, deer_3p_soft_hole.m, deer_4p_soft_deer.m, deer_4p_soft_diag.m, deer_4p_soft_hole.m, deer_analyt.m, eseem.m, oopeseem.m, deernet.m

Version 2.3, authors: Ilya Kuprov, Luke Edwards, Nurit Manukovsky, Daniella Goldfarb