Electronic Properties and Structure of Boron-Hydrogen Complexes in Crystalline Silicon
Electronic Properties and Structure of Boron-Hydrogen Complexes in Crystalline Silicon
复制标题
晶体硅中硼氢配合物的电子性质和结构
DOI：
10.1002/solr.202100459
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发表时间：
2021
期刊：
影响因子：
7.9
通讯作者：
De Guzman J
中科院分区：
文献类型：
--
作者：
De Guzman J
晶体硅中的氢-硼相互作用的主题是重新讨论的光和高温诱导的退化（LeTID）在掺硼太阳能硅。从头算模型的结构，结合能，和电子性质的配合物，将取代硼和一个或两个氢原子进行。从计算中，证实了BH对是电惰性的。发现硼可以结合两个H原子。由此产生的BH 2配合物是一个施主，其跃迁能级估计为Ec-0.24 eV。在实验上，采用结电容技术研究了用不同方法引入氢的磷硼共掺n型直拉硅晶体中的电活性缺陷。在反向偏压下在100 °C下进行热处理的氢化Si：P + B晶体的深能级瞬态谱（DLTS）谱中，检测到具有约0.175 eV的激活能的电子发射信号。陷阱是一个施主，其电子性质接近硼-二氢的预测。BH 2的施主特性表明它可以成为B掺杂p型Si晶体中少数载流子的非常有效的复合中心。提出了Si：B中与LeTID效应有关的硼-氢反应序列。
The subject of hydrogen–boron interactions in crystalline silicon is revisited with reference to light and elevated temperature‐induced degradation (LeTID) in boron‐doped solar silicon. Ab initio modeling of structure, binding energy, and electronic properties of complexes incorporating a substitutional boron and one or two hydrogen atoms is performed. From the calculations, it is confirmed that a BH pair is electrically inert. It is found that boron can bind two H atoms. The resulting BH2complex is a donor with a transition level estimated atEc–0.24 eV. Experimentally, the electrically active defects in n‐type Czochralski‐grown Si crystals co‐doped with phosphorus and boron, into which hydrogen is introduced by different methods, are investigated using junction capacitance techniques. In the deep‐level transient spectroscopy (DLTS) spectra of hydrogenated Si:P + B crystals subjected to heat‐treatments at 100 °C under reverse bias, an electron emission signal with an activation energy of ≈0.175 eV is detected. The trap is a donor with electronic properties close to those predicted for boron–dihydrogen. The donor character of BH2suggests that it can be a very efficient recombination center of minority carriers in B‐doped p‐type Si crystals. A sequence of boron–hydrogen reactions, which can be related to the LeTID effect in Si:B is proposed.