L. Fiorini Filho, Wallace P. Morais, Nathanael Nardoto Batista, Fábio A. L. de Souza, Antonio J. C. Varandas, W. S. Paz, Fernando Nespoli Nassar Pansini
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引用次数: 0
Abstract
Identifying and manipulating spin in two-dimensional materials is of great interest in advancing quantum information and sensing technologies, as well as in the development of spintronic devices. Here, we investigate the influence of hydrogen adsorption on the electronic and magnetic properties of graphene-like triangulenes. We have constructed triangulenes from SiC monolayers, which have been successfully synthesized very recently, extending our investigation to include graphene triangulenes. This advancement in the synthesis of SiC monolayers allows us to investigate deeper into the unique properties of SiC-based triangulenes and compare them with their graphene counterparts. The addition of hydrogen has been found to induce a magnetic moment in the SiC monolayer, with a more localized spin density when H is adsorbed in the C sites while spreading through the lattice when adsorbed on the Si sites. In triangular flakes, the ground spin state changes with the adsorption site: decreasing multiplicity on edge-defined sublattices and increasing it on the opposite sublattice. These findings suggest hydrogen adsorption as a tool for tuning spin-state properties in SiC and graphene nanostructures, with potential applications in spintronics and spin quantum dot devices.
识别和操纵二维材料中的自旋对于推进量子信息和传感技术以及开发自旋电子器件具有重大意义。在此,我们研究了氢吸附对类石墨烯三角晶的电子和磁性能的影响。我们利用最近成功合成的碳化硅单层构建了三角栅,从而将我们的研究扩展到了石墨烯三角栅。在合成碳化硅单层方面取得的这一进展使我们能够更深入地研究基于碳化硅的三方新烯的独特性质,并将其与石墨烯对应物进行比较。研究发现,氢的加入会在碳化硅单层中产生磁矩,当氢吸附在 C 位点上时,自旋密度会更加局部化,而当氢吸附在 Si 位点上时,自旋密度会在晶格中扩散。在三角形薄片中,基底自旋态随吸附位点的变化而变化:在边缘定义的子晶格上自旋态的多重性降低,而在相反的子晶格上自旋态的多重性增加。这些发现表明,氢吸附是调整碳化硅和石墨烯纳米结构自旋态特性的一种工具,有望应用于自旋电子学和自旋量子点器件。
期刊介绍:
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.