Model calculations of nuclear hyperfine structure for anomalous muonium and their implications

Calculations of the effects of resolved and unresolved nuclear hyperfine structure for anomalous muonium have been made for a range of axial nuclear hyperfine parameters and magnetic fields. Although the spectra arc complex, their moments allow predictions about line widths (or depolarization rates) from unresolved hyperfine structure. The increase of with decreasing field observed experimentally is obtained in these calculations. In addition we make predictions of for zero-field spectra, angular dependences of, and line shifts.The work of T.L. Estle and M.E. Warren was supported by N.S.F. grant DMR-79-09223. The help of Serge L. Rudaz is gratefully acknowledged.     

Fine structure and hyperfine structure of some excited states of helium

The fine structure and the hyperfine structure for some singly-excited and doubly-excited states of helium atom are calculated using Rayleigh-Ritz variational method with multi-configuration-interaction wave functions. The calculated results of the fine structure for the Rydberg series are in good agreement with other theoretical and experimental data. The hyperfine parameters and the hyperfine coupling constants of ³He are also obtained for this system.Received: 17 January 2003, Published online: 29 July 2003PACS: 32.10.Fn Fine and hyperfine structure - 31.30.Gs Hyperfine interactions and isotope effects, Jahn-Teller effect     

Quadrupole moment of muonium and hyperfine structure of muonium levels in silicon

It is shown that experimental data on Mu¹ in silicon are most satisfactorily described by the uniaxial symmetric spin hamiltonian which means muonium displacement from the octa-cell center.     

Temperature dependence of the hyperfine parameters of anomalous muonium in germanium

The temperature variation of the anomalous muonium hyperfine interaction in germanium has been measured between 5 and 100 K. The results show that the component perpendicular to the defect axis decreases, while the parallel component increases with increasing temperature. These effects are a result of the interaction of anomalous muonium with the germanium host phonons.Work supported by National Science Foundation Grant DMR-79-09223.     

Electronic structure and hyperfine interaction of muonium in semi-conductors

The Unrestricted Hartree-Fock self-consistent field cluster procedure is being utilized for first-principle investigations of the electronic structures and hyperfine interactions in normal and anomalous muonium states in semi-conductors. Our results for the total energy for the normal muonium state for a twenty-seven atom cluster in diamond, including the muonium and its neighboring atoms, show a minimum at the tetrahedral site and a maximum at the hexagonal site indicating that normal muonium is located in the tetrahedral region and avoids the hexagonal region. Using the calculated spin-density as a function of the position of muonium and carrying out averaging over the vibrational motion of the muon governed by the total energy curve obtained from our work, we have derived a muon hyperfine constant which is about 75% of that in free muonium, in good agreement with experiment. The natures of the total energy and spindensity curves permit us to draw conclusions regarding the origin of the observed trend in the hyperfine constants for normal muonium in diamond, silicon and germanium. The UHF cluster procedure is also applied to study a model of a muon in a positively charged environment for the anomalous muonium center in diamond. This model leads to a hyperfine interaction tensor with the observed feature of strong anisotropy but significantly weaker than experiment. The results obtained for this model indicate the importance for the anomalous muonium state with its relatively weak hyperfine interaction, of exchange polarization effects inherent in the UHF procedure.     

Self-consistent field cluster study of hyperfine properties of normal and anomalous muonium in elemental semiconductors

Using the Unrestricted Hartree Fock (UHF) Cluster Procedure, it is shown that for the normal muonium (Mu) center, the tetrahedral site is the most favorable in the two systems diamond and silicon investigated, while for the anomalous muonium (Mu^*) center, a site displaced in the <111> direction with respect to a vacancy in a double-positively charged environment is the appropriate one for all three elemental semiconductors. Using our calculated electronic wave-functions, one is able to explain all features of the observed hyperfine properties of both centers and, in a number of cases, obtain good quantitative agreement with experiment.     

类铍离子低激发态等电子系列的能量、精细结构和超精细结构

采用多组态相互作用方法及Rayleigh-Ritz 变分方法，并考虑相对论修正和质量极化效应，获得了类铍离子等电子系列（Z=4-10）低激发态1s²2p2p ¹D^e和1s²2p3p ³P^e的相对论能量。同时还计算了精细结构和超精细结构。计算结果与其他理论和实验符合的很好。     

Stark effect,hyperfine structure and isotope shifts in highly excited states of BaI and CaI

The electric dipole polarizabilities of 9 even-parity barium states (6s8s ¹ S ₀,³ S ₁; 6s7d ¹ D ₂,³ D _1,2; 5d7s ¹ D ₂ and 6p ^{2 3} P _0,1,2) in the interval 33,800–35,800 cm^?1 have been measured with high resolution laser-atomic-beam spectroscopy. Simultaneously, values of isotope shifts and hyperfine coupling constants for theJ=1 states have been obtained. Comparison of the experimental polarizabilities with calculated values as well as inspection of the data on isotope shifts and hyperfine structure from the present and earlier work strongly suggests erroneous assignments of theJ=2 states, with an exception for the 5d 7s ¹ D ₂ state. The influence of an electric field on the 3d ^{2 3} P _0,1,2 states of calcium has also been studied. A marked departure from a quadratic Stark effect has been observed at relatively small field strengths. This can be attributed to the large polarizabilities of neighbouring Rydberg states. The low field data allow the determination of admixtures of Rydberg states into the 3d ^{2 3} P-states as small as 0.02%.     

Some simple thoughts about the structure of anomalous muonium

The subject of this paper is anomalous muonium and the kind of model that can be given to explain its observed properties. The implications of experimental findings on a model are discussed and several possible models are suggested. No clearly superior model yet exists, in part because of a lack of theoretical studies of possible models and in part because of the lack of sufficiently definitive experiments.This work was supported by the National Science Foundation under grant number DMR-79-09223.     

V centers in KBr

One of the major products of radiation damage in the range 120 K < T < 200 K is the D₃ center. Many effects previously associated with the V₄ center are more properly due to the D₃ center in conjunction with a center peaking at 280 nm. All results observed are consistent with the model of the D₃ center proposed by Itoh and Ikeya[7], an X₃⁻² trihalide molecule ion oriented in a 〈100〉 direction.     

Relaxation of anomalous muonium in silicon

The relaxation rate ^* of anomalous muonium in silicon with different dopant concentrations was investigated as a function of temperature. Below 140 K, a close correlation between ^* and the concentration of conduction electrons was found. We conclude from this behavior that the relaxation of anomalous muonium in this temperature region is caused by the scattering of conduction electrons. A microscopic model is developed and the value of the exchange interactionJ _ex is derived.The financial support of the Bundesminister für Forschung und Technologie is gratefully acknowledged.