发表机构
Institute for Theoretical Physics, University of Amsterdam; Advanced Research Center for Nanolithography（阿姆斯特丹大学理论物理研究所; 先进纳米光刻研究中心）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
该研究分离非晶氮化硅制备中化学计量比与密度对电子俘获的贡献，发现密度通过孔隙率和前驱体可用性调控俘获混合物，揭示了K中心等俘获机制的变化规律。
AI 中文摘要
非晶氮化硅的电子特性随制备工艺变化，而工艺常同时改变化学计量比与密度，分离二者的贡献对关联薄膜结构与电子俘获至关重要。在2.86-3.19g cm$^{-3}$范围内的499种化学计量比构型中，孔隙率控制俘获混合物：较低密度使可及孔隙率从8.4%升至12.6%，扩大内表面并使自由三配位硅前驱体的供给量增至原来的三倍以上；原有硅悬挂键（K中心）的俘获占比从9%升至29%，而诱导K中心俘获与极化子俘获则下降。中性前驱体指纹可预测未参与训练构型中的俘获混合物并重现其密度依赖性。局部补偿控制K中心活化，电子竞争选择俘获方式，键应变可预测极化子弛豫或诱导K中心形成。相关路径涉及不同的网络体积，但在整个密度范围内保留其特征深度与弛豫能；在固定化学计量比下，密度通过孔隙率与前驱体可用性控制俘获混合物。
英文摘要
The electronic properties of amorphous silicon nitride vary with processing, which often changes stoichiometry and density together. Separating their contributions is essential to connect film structure with electron trapping. Across 499 stoichiometric configurations spanning 2.86-3.19g cm$^{-3}$, porosity controls the trapping mixture. Lower density increases accessible void fraction from 8.4 to 12.6%, expands internal surface and more than triples the supply of free three-coordinate Si precursors. Capture at pre-existing Si dangling bonds (K centres) rises from 9 to 29%, while induced-K and polaronic trapping decline. A neutral precursor fingerprint predicts the trapping mixture in held-out configurations and reproduces its density dependence. Local compensation controls K-centre activation, electronic competition selects capture, and bond strain predicts polaronic relaxation or induced-K formation. Routes involve distinct network volumes but retain their characteristic depths and relaxation energies across the density range. At fixed stoichiometry, density controls the trapping mixture through porosity and precursor availability.
