ELECTRONIC STRUCTURE OF THE M CENTER IN LiCl AND LiF

Journal Article · Sun Mar 01 04:00:00 EST 1964 · Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D

DOI:https://doi.org/10.1103/PhysRev.133.A1436· OSTI ID:4084318

Meyer, A; Wood, R F

Experimental work of the past few years has fairly conclusively established that the M center in alkali halides consists of two F centers bound together at neighboring halide sites. Using this model, the wave functions and energy levels of the M center in LiCl and LiF are calculated in the Reitler- London approximation. The F-electron wave functions used in the calculations are of the vacancycentered type. The finite extension of the neighboring alkali ions is treated but all other ions are considered to be point charges. The results of the calculations show that there is a transition energy that corresponds closely to the observed M/sub 1/ band. In addition, there are numerous possibilities for other transitions, all giving energies that cluster in the vicinity of the main F- band energy. The results for the M/sub 1/ band follow the empirical Ivey relation quite well. (auth)

• Research Organization: Oak Ridge National Lab., Tenn.
• NSA Number: NSA-18-010098
• OSTI ID: 4084318
• Journal Information: Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D, Journal Name: Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D Vol. Vol: 133; ISSN PHRVA
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

BINDING ENERGY
CHEMISTRY
CONFIGURATION
DEFECTS
ELECTRIC CHARGES
ELECTRONS
ENERGY
ENERGY LEVELS
HALIDES
HEITLER-LONDON THEORY
IONS
LITHIUM CHLORIDES
LITHIUM FLUORIDES
NUMERICALS
QUANTITATIVE ANALYSIS
QUANTUM MECHANICS
SPECTRA
TRANSIENTS