在拓材料中寻找带分散性和耐缺陷的半导体
Menglin Huang1, Shanshan Wang2, Tao Zhang2
1Key Laboratory of Computational Physical Sciences (MOE), and State Key Laboratory of ASIC and System, School of Microelectronics, Fudan University, Shanghai 200433, China.
Journal of the American Chemical Society
|March 3, 2022
概括
研究人员通过修改拓材料发现了一种新的高性能半导体策略. 在拓绝缘体中的元素替代产生了具有优良光电子性能和高载体流动性的耐缺陷半导体.
科学领域:
- 材料科学
- 凝聚物质物理学
- 固态化学
背景情况:
- 拓材料通常具有重元素,具有独特的反向和分散带结构.
- 更轻的元件的替换可以将拓材料转化为带间隙可调的半导体,保留带分散和载体移动性等理想的特性.
- 现在有大量的拓材料数据库,为进一步的探索提供了丰富的资源.
研究的目的:
- 通过元素替代来证明最近发现的拓材料作为识别具有高载体移动性和缺陷耐受性的新半导体的起点的实用性.
- 探索衍生半导体在光电子应用中的潜力.
主要方法:
- 在三个基准拓材料上使用元素替代:Na3Bi,Pb2Bi2Te5和EuCd2Sb2.
- 研究了由此产生的材料的电子带结构和稳定性.
- 使用计算方法预测材料属性和识别基本状态结构.
主要成果:
- 成功衍生出几个新的半导体,包括Na3P,Na3As,Sn2Sb2S5和CaZn2N2,表现出带分散和缺陷耐受性.
- 这些衍生材料对光电子应用具有前景.
- 对于Na3P,Na3As和Na3Sb,由拓性Na3Bi衍生出的P3̅c1结构被确定为意想不到的基本状态,其稳定性超过了之前报告的结构.
结论:
- 该研究通过修改现有拓材料验证了发现带分散性,耐缺陷半导体的可通用策略.
- 这种方法为半导体物理提供了新的见解,并为光电子材料的合理设计提供了途径.
- 这些发现突显了通过这种替代策略发现稳定的基态结构的潜力.
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