稀土六硼化物的研究进展-中国材料进展

文章信息/Info

作者:: 许少文1; 2; 贾帆豪1; 2; 乔磊1; 2; 任伟1; 2; (1. 上海大学量子与分子结构国际研究中心，上海 200444) (2. 上海大学物理系，上海 200444)

Author(s):: XU Shaowen1; 2; JIA Fanhao1; 2; QIAO Lei1; 2; REN Wei1; 2; (1. International Centre for Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China) (2. Physics Department, Shanghai University, Shanghai 200444, China)

Keywords:: cathode material; rare earth hexaboride; experimental preparation; density functional theory

摘要:: 作为著名的阴极材料，稀土六硼化物（RB6）在实验和理论上已经被研究了几十年。在RB6中，金属原子被嵌入通过B—B共价键相互连接的硼笼网络。这种独特的笼状结构、稀土元素特殊的4f轨道和硼元素的缺电子特性，使该材料表现出很多优异的性质：功函数低、电导率高、发射电流密度大、硬度大、杨氏模量高、熔点高、化学稳定性高、抗热辐射性强等。RB6材料用途广泛，已成功应用于雷达、航空航天、消费电子、仪表器械、核电等多个领域。从若干RB6的结构和性质出发，综述了其实验制备方法和密度泛函理论（DFT）研究的进展，总结了其在多个领域的应用进展，最后给出研究展望。

Abstract:: As a well-known cathode material, rare earth hexaboride (RB6) has been studied experimentally and theoretically for decades. In RB6， metal atoms are embedded in a network of boron cages connected by B—B covalent bonds. This unique boron cage, the special 4f orbital and boron-deficient properties of rare earth elements make RB6 exhibit many excellent properties, such as low work function, high electrical conductivity, high emission current density, high hardness, high Young‘s modulus, high melting point, high chemical stability and strong resistance to heat radiation. RB6 materials are widely used in radar, aerospace, consumer electronics, instrumentation, nuclear power and other fields. Based on the structure and properties of RB6, this review describes the progress of its experimental preparation methods and theoretical density functional (DFT) research, summarizes its application in various fields, and finally gives our prospects.