| 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 |
| Volume: |
80 |
| Issue: |
No. 20 |
| Keywords: |
exciton;lithium fluoride;magnesium oxide;optical absorption;Tamm-Dancoff approximation;theory |
| Research Areas: |
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| PDF version: |
 Click here to retrieve PDF version of paper (163KB) |
