Report
Electronic States and Mechanical Behaviors of Phosphorus Carbide Nanotubes -- Structural and Quantum Phase Transitions in a Quasi-one-dimensional Material
| العنوان: | Electronic States and Mechanical Behaviors of Phosphorus Carbide Nanotubes -- Structural and Quantum Phase Transitions in a Quasi-one-dimensional Material |
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| المؤلفون: | Sharma, Shivam, Wang, Chenhaoyue, Yu, Hsuan Ming, Banerjee, Amartya S. |
| سنة النشر: | 2025 |
| المجموعة: | Condensed Matter Physics (Other) Quantum Physics |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons, Physics - Chemical Physics, Physics - Computational Physics, Quantum Physics |
| الوصف: | Quasi-one-dimensional (1D) materials can manifest exotic electronic properties in manners that are distinct from the bulk phase or other low-dimensional systems. Helical symmetries in such materials -- e.g., nanotubes with intrinsic or applied twist -- can simultaneously lead to strong electronic correlation and anomalous transport behavior. However, these materials remain underexplored, in part due to computational challenges. Using specialized symmetry-adapted first-principles calculations, we show that mono-layer $P_2C_3$ -- identified in a previous letter to possess ``double Kagome bands'' -- exhibits a number of striking properties when rolled up into phosphorous carbide nanotubes ($P_2C_3$NTs). Both armchair and zigzag $P_2C_3$NTs are stable at room temperature and display a degenerate combination of Dirac points and electronic flat bands at the Fermi level. Notably, these flat bands are highly resilient to elastic deformations. Large strains can transform the nanotube structure from honeycomb-kagome to ``brick-wall'', and trigger multiple quantum phase transitions. Edge states in $P_2C_3$NTs, spin-degeneracy lifting induced by vacancies and dopants, and strain-tunable magnetism are also discussed. Comment: Keywords: chiral nanomaterial, flat bands, strong correlation, quantum phase transition |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2501.11239 |
| رقم الانضمام: | edsarx.2501.11239 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |