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|Author(s):||L Benedict; Eric L. Shirley; Robert B. Bohn;|
|Title:||Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation|
|Published:||May 01, 1998|
|Abstract:||We present a computationally efficient scheme to calculate the optical absorption of insulators from first principles, including the electron-hole interaction. Excited states of the solid are chosen to consist of single electron-hole pairs. The electron-hole interaction is statically screened using a model dielectric function. Only two pieces of input are required: the crystal structure of the material and the macroscopic dielectric constant. We apply this scheme to two wide-gap insulators, LiF, and MgO, and obtain excellent agreement with experimental measurements of their UV reflectance spectra.|
|Citation:||Physical Review Letters|
|Keywords:||exciton,lithium fluoride,magnesium oxide,optical absorption,Tamm-Dancoff approximation,theory|
|PDF version:||Click here to retrieve PDF version of paper (167KB)|