Substrate-Induced Modulation of Quantum Emitter Properties in 2D Hexagonal Boron Nitride: Implications for Defect-Based Single Photon Sources in 2D Layers
Substrate-Induced Modulation of Quantum Emitter Properties in 2D Hexagonal Boron Nitride: Implications for Defect-Based Single Photon Sources in 2D Layers
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二维六方氮化硼中量子发射体特性的衬底诱导调制：对二维层中基于缺陷的单光子源的影响
DOI：
10.1021/acsanm.2c05233
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发表时间：
2023
影响因子：
5.9
通讯作者：
Dev, Pratibha
中科院分区：
文献类型：
--
作者：
Narayanan, Sai Krishna;Dev, Pratibha
基于六方氮化硼（hBN）层中的深能级缺陷的量子发射体（QE）是三维宽带隙半导体中其他量子位候选者的有希望的替代物。hBN的二维（2D）形状因子允许量子发射器的接近确定性放置的可能性和经由不同手段（诸如施加应变）的性质调谐的容易性。然而，hBN的2D性质也导致了一系列独特的挑战，包括QE对环境的敏感性，这可能会影响它们的不同特性，例如它们的发射频率和亮度。特别是，虽然观察到实验，理论工作迄今为止忽略了衬底诱导的调制hBN的QE性能。因此，到目前为止，基板效应的大小和潜在的机制（S）参与调制的QE属性仍然未知。在我们基于密度泛函理论的工作中，我们使用二氧化硅作为原型衬底来证明衬底效应确实可以对负责量子发射的缺陷的基态和激发态性质产生重大影响。我们的分析表明，由于基板的相互作用，在缺陷部位的大的结构扭曲，导致量子发射频率的显着变化。这些计算表明，考虑衬底效应对于hBN在量子传感和量子计算中的成功使用至关重要。
Quantum emitters (QEs) based on deep-level defects in hexagonal boron nitride (hBN) layers are promising alternatives to other qubit-candidates in three-dimensional wide bandgap semiconductors. The two-dimensional (2D) form factor of hBN allows the possibility of near-deterministic placement of quantum emitters and an ease of property-tuning via different means, such as application of strain. However, the 2D nature of hBN also results in a unique set of challenges, including a sensitivity of the QEs to their environment that can influence their different properties, such as their emission frequencies and brightness. In particular, although observed experimentally, theoretical works thus far have ignored substrate-induced modulation of hBN’s QE properties. As a result, to date, the magnitude of substrate effects and the underlying mechanism(s) involved in the modulation of QE properties remain unknown. In our density functional theory-based work, we use silicon dioxide as a prototype substrate to demonstrate that the substrate effects can indeed have a significant impact on ground- and excited-state properties of defects responsible for quantum emission. Our analysis shows large structural distortions at the defect sites due to substrate interactions, resulting in significant changes in quantum emission frequencies. These calculations reveal that accounting for substrate effects is critical to the successful use of hBN in quantum sensing and quantum computing.
影响因子：
9.5
作者：
Choi, Sumin;Toan Trong Tran;Aharonovich, Igor
通讯作者：
Aharonovich, Igor
影响因子：
7
作者：
Gale, Angus;Li, Chi;Toth, Milos
通讯作者：
Toth, Milos