✍ Scribed by A.Sabba Stefǎnescu
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= ~~11 HzSz + g 1(H~S+ H~S~) } + -4DoŨ niversity of Belfast, N. Ireland (see application form in this issue)
Computer: IBM 370/168; Installation: Kernforschungszentrum, Karlsruhe Method of solution
Operating system: OS Performing a fourth-order perturbation expansion for the above spin-hamiltonian in the cases when the applied magnetic field Programming language used: FORTRAN IV is parallel and perpendicular, respectively, with respect to the High speed storage required: 14 kwords axis of highest symmetry, o~eobtains a set of nonlinear equa-No. of bits in a word: 32 tions for the spin-hamiltonian parameters.
In the case when the number of available equations is greater Overlay structure: None than the number of parameters, a least squares minimization
No. of magnetic tapes required: None by an iterative procedure is carried out. The external magnetic field H was assumed to be sufficiently Other peripherals used: Card reader, line printer large to make the electronic Zeeman term dominant with re-No. of cards in combined program and test deck: 1147 spect to any other terms in the hamiltonian.
Restriction on the complexity of the problem Keywords: Solid-state, EPR spin-hamiltonian parameters,
The expressions used for the transition fields are valid only for tetragonal environment, least squares fit, magnetic field, pa-hamiltonians with tetragonaõr cubic symmetry and for a doramagnetic ion, fourth order perturbation minant Zeeman term. The nuclear and the quadrupole terms are neglected.
The program computes the EPR spin-hamiltonian parameters Typical running time for the paramangetic ions in a tetragonal environment and an
The time required for the test run of Mn 2ĩn NH 4CI is 7.55 external magnetic field H. Its purpose is to optimize the com-sec on a IBM 370/168 compUter, of which 6.72 sec are needed putation of these spin-hamiltonian parameters with respect to for compiling. the experimental errors. It can be used also for paramagnetic
📜 SIMILAR VOLUMES
Based on the defect models that the two tetragonal Cu 2+ centers in KTaO 3 are due to Cu 2+ ions at Ta 5+ sites associated, respectively, with one and two oxygen vacancies (V 0 ) along C 4 axis because of charge compensation, the spin-Hamiltonian parameters (g factors g // , g ⊥ and hyperfine struct