Report
Local mechanism of valence bond formation in IrTe$_2$
| العنوان: | Local mechanism of valence bond formation in IrTe$_2$ |
|---|---|
| المؤلفون: | Ritschel, T., Stahl, Q., Kusch, M., Trinckauf, J., Garbarino, G., Svitlyk, V., Mezouar, M., Yang, J., Cheong, S. W., Geck, J. |
| سنة النشر: | 2021 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Strongly Correlated Electrons |
| الوصف: | Doped IrTe$_2$ is considered a platform for topological superconductivity and therefore receives currently a lot of interest. In addition, the superconductivity in these materials exists in close vicinity of electronic valence bond crystals, which we explore here by means of high-pressure single crystal x-ray diffraction in combination with density functional theory. Our crystallographic refinements provide unprecedented information about the structural evolution as a function of applied pressure up to 42 GPa. Using this structural information for density functional theory calculations, we show that the valence bond formation in IrTe$_2$ is driven by changes in the Ir-Te-Ir bond angle. When a valence bond is formed, this bond angle decreases drastically, leading to a stabilization of local valence bonds large enough to push them out of a broad band continuum. This unusual local mechanism of valence bond formation in an itinerant material provides a natural explanation for the different valence bond orders in IrTe$_2$, implies a very strong electron-phonon coupling and is most likely relevant for the superconductivity as well. Comment: 10 pages, 6 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2112.04584 |
| رقم الانضمام: | edsarx.2112.04584 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |