Hartree-Fock Cluster Investigation of Trapping sites of Muon and Muonium and Hyperfine Interactions in the Organic Ferromagnet p-NPNN (β-phase)
Abstract
The ab initio Unrestricted Hartree-Fock procedure has been applied to determine the trapping sites for muon (μ) and muonium (Mu) in ferromagnetic p-NPNN and hyperfine terms in the Spin Hamiltonians. For Mu, singlet trapping sites near the O's of the two NO groups and triplet sites near the two O's of the NO2 group were found and for μ four trapping sites near the O's and the N's of the two NO groups. Using the easy axis (b-axis), determined from muon spin rotation (μSR) measurements, and our calculated hyperfine parameters, the observed 2.1 MHz zero field μSR signal and the 400MHz hyperfine constant inferred from repolarization measurements, are assigned respectively to the singlet Mu sites and μ near the N's of the NO groups.
- Publication:
-
APS March Meeting Abstracts
- Pub Date:
- March 2004
- Bibcode:
- 2004APS..MARP26013J