| Автор | Z S Popovic |
| Автор | F R Vukajlovic |
| Автор | Z V Sljivancanin |
| Дата выпуска | 1995-06-05 |
| dc.description | The spin-restricted and spin-polarized fully self-consistent linear muffin tin orbital band calculations for cuprate CuGeO<sub>3</sub> are presented with Cu atoms in normal and displaced positions within the orthorhombic cells. This, computationally much cheaper, approach gives practically the same one-electron bands as recent linear augmented plane wave calculations, and the same qualitative explanation for the spin-Peierls transition observed at low temperatures in this compound. New self-consistent spin-polarized calculations of CuGeO<sub>3</sub>, for some supposed antiferromagnetic order in copper chains along the orthorhombic c axis, have given very small values for magnetic moments on Cu atoms. Again the dimerization of CuO<sub>2</sub> chains can open a band gap at E<sub>F</sub>, if the Cu displacements in neighbouring chains are out of phase. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Band structure of spin-Peierls cuprate CuGeO<sub>3</sub> |
| Тип | paper |
| DOI | 10.1088/0953-8984/7/23/023 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 7 |
| Первая страница | 4549 |
| Последняя страница | 4559 |
| Аффилиация | Z S Popovic; Lab. for Theor. Phys., Inst. of Nucl. Sci., Belgrade, Yugoslavia |
| Аффилиация | F R Vukajlovic; Lab. for Theor. Phys., Inst. of Nucl. Sci., Belgrade, Yugoslavia |
| Аффилиация | Z V Sljivancanin; Lab. for Theor. Phys., Inst. of Nucl. Sci., Belgrade, Yugoslavia |
| Выпуск | 23 |
