Abstract
The observed dependences on hydrostatic pressure of the energy gaps in PbX (X=S, Se, Te) at symmetry points in the Brillouin zone are successfully calculated using the self-consistent scalar-relativistic full potential linear-augmented plane-wave band method (FP-LAPW) within the local (spin) density approximation (LSDA). The results are compared with previous calculations and with experimental measurements. We found good agreement with our calculations.
Original language | English |
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Pages (from-to) | 127-131 |
Number of pages | 5 |
Journal | Computational Materials Science |
Volume | 18 |
Issue number | 2 |
DOIs | |
Publication status | Published - Aug 2000 |
Externally published | Yes |
ASJC Scopus subject areas
- Computer Science(all)
- Chemistry(all)
- Materials Science(all)
- Mechanics of Materials
- Physics and Astronomy(all)
- Computational Mathematics