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A self-consistent energy-band study in CuCl
| Content Provider | Scilit |
|---|---|
| Author | Kunz, A. B. Weidman, R. S. |
| Copyright Year | 1979 |
| Description | Journal: Journal of Physics C: Solid State Physics A self-consistent study of the energy bands in CuCl has been performed as a function of the lattice constant using the Hartree-Fock method. Correlation corrections are included. The principal results are that the upper valence band is formed mostly from the Cu 3d level and that for a normal lattice constant there is no indirect band gap; the direct band gap is calculated to be 4.0 eV and is at the Gamma point. With a decreasing lattice constant, a weak indirect gap developes between the valence band maximum at Gamma and a conduction band minimum at X. With a reduction of about 5% in the lattice constant, the indirect gap width has a value of about 2.0 eV. The results are discussed in the light of recent experimental data on CuCl. |
| Related Links | http://iopscience.iop.org/article/10.1088/0022-3719/12/10/003/pdf |
| Ending Page | L374 |
| Page Count | 4 |
| Starting Page | L371 |
| ISSN | 00223719 |
| DOI | 10.1088/0022-3719/12/10/003 |
| Journal | Journal of Physics C: Solid State Physics |
| Issue Number | 10 |
| Volume Number | 12 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 1979-05-28 |
| Access Restriction | Open |
| Subject Keyword | Journal: Journal of Physics C: Solid State Physics Applied Physics Condensed Matter Physics Valence Band Band Gap Hartree Fock |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physics and Astronomy Condensed Matter Physics Engineering |
