تقرير
Pressure effects on the electronic structure and magnetic properties of infinite-layer nickelates
| العنوان: | Pressure effects on the electronic structure and magnetic properties of infinite-layer nickelates |
|---|---|
| المؤلفون: | Sharma, Shekhar, Jung, Myung-Chul, LaBollita, Harrison, Botana, Antia S. |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Superconductivity, Condensed Matter - Materials Science |
| الوصف: | Motivated by the discovery of superconductivity in infinite-layer nickelates RNiO$_2$ (R= rare-earth), and the subsequent enhancement of their T$_c$ with pressure, we investigate the evolution of the electronic structure and magnetic properties of this family of materials via first-principles calculations employing hydrostatic and chemical pressure as tuning knobs. Overall, our analysis shows that pressure tends to increase the R-$5d$ self-doping effect, as well as the Ni-$d _{x^{2}-y^{2}}$ bandwidth, the $e_g$ energy splitting, the charge transfer energy, and the superexchange ($J$). Using the energy scale of $J$ as a predictor of superconducting tendencies, we anticipate that pressure can indeed be a feasible means to further increase the T$_c$ in this family of materials. Comment: 12 pages, 11 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2403.07176 |
| رقم الأكسشن: | edsarx.2403.07176 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |