Electronic band structure of ferroelectric semiconductor SbSi studied by empirical pseudopotential
| Autor: | O. V. Farberovich, R. Šadžius, I. V. Vinokurova, R. Žaltauskas, L. Audzijonienė, Algirdas Audzijonis |
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| Rok vydání: | 1998 |
| Předmět: |
Materials science
Condensed matter physics Crystal structure Condensed Matter Physics Ferroelectricity Electronic Optical and Magnetic Materials Pseudopotential Brillouin zone Crystal Condensed Matter::Materials Science Condensed Matter::Superconductivity Density of states Orthorhombic crystal system Electronic band structure |
| Zdroj: | Ferroelectrics. 211:111-126 |
| ISSN: | 1563-5112 0015-0193 |
| DOI: | 10.1080/00150199808232337 |
| Popis: | The choice of the empirical pseudopotential method for studying the electronic band structure of SbSI-type crystals is discussed. The method is applied to study the SbSI crystal in the paraelectric and ferroelectric phases. Differently from previous studies, a covalent crystal structure is assumed. The total density of states is calculated using the tetrahedron technique modified for treating orthorhombic crystals. The calculated total density of states is compared with the experimental X-ray spectroscopy data indicating good agreement between the theory and experiment. The composition of the bands is discussed. According to the calculations, in PEP the SbSI crystal shows indirect transition between points U and Z of the Brillouin zone, and in FEP it is between points R and Z. The minimum direct gap is for both phases at point U of the Brillouin zone. |
| Databáze: | OpenAIRE |
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