Electronic Structure and γ-α Phase Transition Mechanism of Cerium: a Reviewof Theoretical Models and Experimental Researches Using Angle-resolvedPhotoemission Spectroscopy
DUAN Yu, LUO Xuebing, ZHANG Yun, ZHANG Wen, FENG Wei, HAO Qunqing, LUO Lizhu, LIU Qin, CHEN Qiuyun, TAN Shiyong, ZHU Xiegang, LAI Xinchun
Institute of Materials, China Academy of Engineering Physics, Mianyang 621908
Abstract: Lanthanides and actinides containing f-electrons are the most complex members of the periodic table, and tend to exhibit peculiar macroscopic physical properties, among which the γ-α phase transition in cerium is one of the most typical representatives. This iso-structual phase transition involves both a volume collapse of more than 15% and the magnetic properties transition from Curie-Weiss like to Pauli-like paramagnetism. Over the years, a variety of theoretical and experimental researches have been dedicated to understand the microscopic mechanism of the γ-α phase transition in cerium, and three main theoretical models were proposed to interpret this phase transition, i.e. promotional model, Mott-like transition model and Kondo model. Among them, the promotional model has faded out for discrepancies with experimental results. On the other hand, both Mott-like model which emphasizes the f-f electrons interaction during the phase transition and Kondo model which values the interaction between 4f electrons and conduction electrons have acquired intensive research efforts, and their validities are still unsettled. However, there has been a consensus that the peculiarity of γ-α phase transition in cerium is related to its unusual 4f electronic structure. The outer electronic configuration of cerium is 4f15d16s2, in which the 4f electrons are localized but are similar in energy level with the 5d and 6s electrons, resulting in the dual characteristics (localization and itinerancy) of the 4f electrons. Therefore, a slight change of the chemical environment can lead to significant change in electronic structure of cerium and alter its macroscopic physical properties. Nowadays, researchers have successfully prepared high-quality cerium single crystal films by applying the technology of molecular beam epitaxy (MBE). Moreover, the electronic structure of Ce can be directly observed by angle-resolved photoemission spectroscopy (ARPES), enabling us to easily study the behavior of 4f electrons during γ-α phase transition. It’s worth noting that the Kondo model has become more and more popular, as more experimental results from photoemission spectroscopy show evidences of Kondo scenario, and theoretical calculations, such as single impurity Anderson model (SIAM) based Gunnarsson-Schonhammer (GS) model, LDA+U and LDA+DMFT, also support the Kondo model. This contribution contains a brief summary over the three above-mentioned theoretical models for the γ-α phase transition in cerium together with some relevant experiments, and subsequently an introduction of the preparation method of high-quality single crystal cerium films as well as a detailed survey on the relevant experimental researches using ARPES technique. Several aspects of recent ARPES results were stressed, including i. the electronic structures and possible surface state of cerium film under room temperature, ii. the hybridization of 4f electrons with conduction electrons related to wave vector k, and iii. the correlation between temperature and the hybridization of 4f electrons with conduction electrons.
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2019, Vol. 33 
