在BN纳米结构上的C原子的磁性:对功能纳米器件的影响
1Department of Physics, Tsinghua University, Beijing 100084, People's Republic of China.
Journal of the American Chemical Society
|January 22, 2009
概括
碳原子诱导化纳米管 (BNNTs) 和板中的磁性. 这种磁性源于局部的sp电子状态,产生每原子2.0μB的稳定磁矩,这对于新型纳米设备至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 纳米技术 纳米技术
背景情况:
- 化纳米管 (BNNT) 和六角化 (h-BN) 板是有前途的纳米材料.
- 在这些材料中诱导磁性是旋转电子应用的关键.
研究的目的:
- 调查BNNT和BN板上的碳原子对磁性的诱导.
- 了解磁性的机制及其对纳米设备制造的潜力.
主要方法:
- 使用了旋转极化密度函数计算.
- 进行了轨道杂交和电子结构的分析.
- 评估了扩散障碍和吸附能量.
主要成果:
- 碳原子在BNNT和BN板上诱导稳定的磁性.
- 观察到每个碳原子的局部磁矩为2.0μB,独立于基板.
- 碳的两个价值电子有助于结合,而两个封闭的电子导致旋转极化.
结论:
- 碳原子在化纳米结构中有效诱导磁性.
- 这些发现提出了基于BN-C的功能纳米设备的制造方法.
- 这些结果为创建先进电子设备的虚拟构件铺平了道路.
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