第一原则对V组杂质的洞察及其对探测器性能的影响
Sandip Aryal1, Enrique R Batista2, Gaoxue Wang3
1Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA. saryal@lanl.gov.
Scientific reports
|December 11, 2025
概括
高纯度 (HPGe) 探测器中的点缺陷和杂质通过捕获电荷载体来降低性能. 组V杂质及其复合物与空隙形成深陷,影响探测器分辨率.
科学领域:
- 材料科学 材料科学 材料科学
- 核物理 核物理 核物理
- 计算物理 计算物理
背景情况:
- 高纯度 (HPGe) 探测器对于核物理研究至关重要,提供出色的能量分辨率和灵敏度.
- 在HPGe晶体中的缺陷和杂质会导致电荷被困,降低探测器性能和能量分辨率.
研究的目的:
- 用密度函数理论研究 (Ge) 中点缺陷的能量.
- 了解V组杂质及其复合物的影响,以及HPGe探测器中电荷捕获上的空缺.
主要方法:
- 使用混合函数的密度函数理论 (DFT) 计算.
- 这项研究重点研究了地质地点缺陷的形成能量和电子特性.
主要成果:
- 在Ge中形成V组杂质 (P,As,Sb) 的可能性更大,而不是空位或间隙.
- (N) 产生深陷状态,而P,As和Sb在导电带边缘附近形成浅陷.
- 组V缺陷可以与Ge空缺形成复合体,创建深陷,有助于充电陷.
结论:
- 无论是Ge空位还是空位-杂质复合物都是HPGe探测器中充电陷的重要贡献者.
- 了解这些缺陷对于提高HPGe探测器用于敏感核测量的性能和可靠性至关重要.
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