The use of finite cluster models to represent the electronic structure of solids in the framework of self-consistent local density theory is reviewed. The embedding problem is discussed, and practical variational approaches to treating crystalline potentials and wavefunction boundary conditions are presented. Hyperfine fields at μ+ sites in Fe, Ni, and Co are found to result from a delicate balance between negative contributions of deep-lying (bound, paired) states and positive contributions due to polarization of band levels near the Fermi energy. The nature of muon screening, and the potential for μ+ in Cu and Al are briefly considered. Finally, we explore the likely binding sites and bonding mechanisms for μ+ in the defect compound VOx.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Nuclear and High Energy Physics
- Condensed Matter Physics
- Physics and Astronomy(all)
- Electronic, Optical and Magnetic Materials