Hartree-Fock Investigation of Muon and Muonium Trapping and Hyperfine Interactions in the Chemical Ferromagnet p-NPNN (b-phase)

T. M. Briere (KEK-MSL, Tsukuba, Japan), J. Jeong (SUNY Albany, Albany, NY), N. Sahoo (Albany Medical College, Albany, NY; SUNY Albany), T.P. Das (SUNY Albany), S. Ohira (RIKEN, Wako-shi, Japan), K. Nishiyama (KEK-MSL), K. Nagamine (KEK-MSL; RIKEN)

In recent work(T. M. Briere et al, Physica B 289-290 128, 132 (2000)), we have carried out First-Principle Hartree-Fock Roothaan investigations of muon (m) and muonium (Mu) trapping and associated hyperfine interactions in ferromagnetic TEMPO systems. Our analysis has identified the m and Mu trapping sites leading to the observed mSR frequencies and also the easy axes in these systems. We are currently using the same procedure, including intramolecular and intermolecular contributions to the hyperfine interactions and vibrational averaging effects to interpret the two hyperfine frequencies (M. I. J. Probert and A. J. Fisher, J. Phys. Condens. Matter 9, 3635 (1997) and references to experimental work therein) (2.1 MHz and 400 MHz) measured in the p-NPNN in b-phase ferromagnetic state. Results will be reported and comparison will be made with earlier theoretical work using a different procedure.

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