| ABSTRACT: |
Positive muon implantation into condensed matter leads to the generation of a variety of paramagnetic states including interstitial muonium, bond-center states, shallow defects, and molecular radicals. These are distinguished by characteristic values of the components of the muon-electron hyperfine coupling tensor. Consequently, a full understanding of the structures and dynamics of these states requires the accurate calculation of energy surfaces and hyperfine tensor parameters. Since the development of density functional theory, this has become considerably less challenging than in the past for simple systems such as organic molecular radicals. However, recent experimental studies have focused on systems of much greater complexity, such as radicals formed from molecules bound in zeolite environments, caged muonium in silsesquioxanes, and the still-puzzling paramagnetic states observed in elemental sulfur and the other chalcogens.
Calculations on several of these systems are presented, with discussion of the particular problems raised in each case, and a comparison of muonium and hydrogen data where available. |
