تقرير
Compton scattering study of strong orbital delocalization in a LiNiO$_2$ cathode
| العنوان: | Compton scattering study of strong orbital delocalization in a LiNiO$_2$ cathode |
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| المؤلفون: | Kothalawala, Veenavee Nipunika, Suzuki, Kosuke, Nokelainen, Johannes, Hyvönen, Arttu, Makkonen, Ilja, Barbiellini, Bernardo, Hafiz, Hasnain, Tynjälä, Pekka, Laine, Petteri, Välikangas, Juho, Hu, Tao, Lassi, Ulla, Takano, Kodai, Tsuji, Naruki, Amada, Yosuke, Devi, Assa Aravindh Sasikala, Alatalo, Matti, Sakurai, Yoshiharu, Sakurai, Hiroshi, Bansil, Arun |
| المصدر: | volume = 109, year =2024 |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science |
| الوصف: | Cobalt is used in Li-ion batteries, but it is expensive and could be replaced by nickel to deliver better performance at a lower cost. With this motivation, we discuss how the character of redox orbitals of LiNiO$_2$ can be ascertained through x-ray Compton scattering measurements combined with parallel first-principles simulations. Our analysis reveals the nature of hole states in Li-doped NiO resulting from the hybridization of O 2$p$ and Ni 3$d$ orbitals. Our study also gives insight into the ferromagnetic ground state and provides a pathway toward the rational design of next-generation battery materials. Comment: 5 pages, 5 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1103/PhysRevB.109.035139 |
| URL الوصول: | http://arxiv.org/abs/2401.11743 |
| رقم الأكسشن: | edsarx.2401.11743 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1103/PhysRevB.109.035139 |
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