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[極端室學術論壇(43)] Modelling one-dimensional magnetism and optics
時間: 2019年08月26日 10:00
地點: 物理所M樓253
報告人: Wei Wu

報告摘要:One-dimensional physics is fascinating as it can be a good platform for a variety of interesting physcs such as Haldane’s topological phase and Majorana particle. My talk will fall into two parts. In the first part, I will talk about the theoretical description of the magnetic properties of spin-chain compounds, including metal-phthalocyanines (MPc) – a typical organic chain compound, and Sr3NiIrO6. I will discuss the theoretical results for the exchange interactions in MPc based on hybrid-exchange density-functional theory, and compare them with the experimental SQUID measurements. Moreover, I will discuss the linear-spin-wave modelling of the inelastic neutron scattering spectra, where we can see a double-peak structure and energy gap due to the exchange anisotropy, in agreement with the recent first-principles calculations. In the second part, I will talk about the theoretical description of the optical properties of MPc. I will discuss the theoretical results based on the time-dependent density-functional theory for a molecular dimer, and compare them with the experimental UV-Vis measurements, where we can see clearly the agreement and discrepancy between them. Moreover, I will discuss the recent development of a tight-binding excitonic model combining the intra-molecular excitation and charge-transfer states to interpret the absorption spectra more accurately as compared with the dimer model. We also show the potential of molecular chain as a platform for one-dimensional bosonic topological phases. In addition, I will discuss the theoretical modelling of optical spectra of donor linear array in silicon, which is important for developing silicon-based quantum technologies. We will discuss the interesting physics for charge-transfer excitations and their interaction with excitations of other types. The excitation energy goes down to below 10 meV, well in the Thz region, suggesting their potential application in Thz and long-wavelength optics. From the multi-valley calculations, we can also see the effects of central-cell corrections and inter-valley couplings on the charge-transfer excited states.

報告人簡介:Wei Wu(武威):2000年吉林大學本科畢業,2003年于中科院理論物理研究所獲得碩士學位, 2007年博士畢業于英國倫敦大學學院,之后先后在倫敦納米中心和倫敦帝國理工學院做研究工作。主要科研內容包括無機半導體中的雜質團簇和有機半導體以及有機大分子的光磁和含時理論,以及這些材料在量子計算,量子模擬,自旋電子學中的應用。

邀請人:望賢成

聯系電話:82648041


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