复杂晶格动力学与能源材料的中子散射研究  

SPECIAL TOPIC-Correlated electron materials and scattering spectroscopy Neutron scattering studies of complex lattice dynamics in energy materials

作　　者：任清勇 王建立 李昺[5] 马杰 童欣 REN Qingyong;WANG Jianli;LI Bing;MA Jie;TONG Xin(Spallation Neutron Source Science Center,Dongguan 523803,China;Institute of High Energy Physics,Chinese Academy of Sciences,Beijing 100049,China;Guangdong Provincial Key Laboratory of Extreme Conditions,Dongguan 523803,China;Center for Neutron Scattering and Advanced Light Sources,Dongguan University of Technology,Dongguan 523000,China;Institute of Metal Research,Chinese Academy of Sciences,Shenyang 110016,China;School of Physics and Astronomy,Shanghai Jiao Tong University,Shanghai 200240,China)

机构地区：[1]散裂中子源科学中心,东莞523803 [2]中国科学院高能物理研究所,北京100049 [3]广东省极端条件重点实验室,东莞523803 [4]东莞理工学院,中子散射与先进光源科学技术中心,东莞523000 [5]中国科学院金属研究所,沈阳110016 [6]上海交通大学物理与天文学院,上海200240

出　　处：《物理学报》2025年第1期7-27,共21页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:12474024,52101236);广东省自然科学基金(批准号:2021B1515140014);广东省极端条件重点实验室(批准号:2023B1212010002)资助的课题.

摘　　要：晶格动力学是众多前沿能源材料的重要物理基础.许多优秀的能源材料具有亚晶格嵌套结构,其晶格动力学非常复杂,这给理解材料的物理机制带来了巨大挑战.中子散射技术兼具高的能量和动量分辨率,可以同时表征物质结构和复杂晶格动力学,近年来在研究能源材料物理机制方面发挥了重要作用.本文首先详细介绍了能源材料研究中常用的几种中子散射技术,包括中子衍射、中子全散射、准弹性中子散射以及非弹性中子散射等.然后,综述了近年来以中子散射为主要表征方法在能源材料领域所取得的一些重要研究进展,包括超离子热电材料中的超低晶格热导率、固态电解质中的离子扩散机制、压卡材料中的塑晶态相变与构型熵、光伏材料中的晶格非谐性与载流子输运以及磁卡制冷材料中的一级磁-结构相变等.在这些能源转换与存储材料中,晶格动力学并不是独立起作用的,它们在宏观物理性质中的作用总是通过不同自由度如亚晶格、电荷、自旋等的复杂关联作用或相互耦合来实现的.通过这些典型实例,希望为能源材料与晶格动力学的进一步深入研究提供参考.Lattice dynamics play a crucial role in understanding the physical mechanisms of cutting-edge energy materials.Many excellent energy materials have complex multiple-sublattice structures,with intricate lattice dynamics,and the underlying mechanisms are difficult to understand.Neutron scattering technologies,which are known for their high energy and momentum resolution,are powerful tools for simultaneously characterizing material structure and complex lattice dynamics.In recent years,neutron scattering techniques have made significant contributions to the study of energy materials,shedding light on their physical mechanisms.Startin from the basic properties of neutrons and double differential scattering cross sections,this review paper provides a detailed introduction to the working principles,spectrometer structures,and functions of several neutron scattering techniques commonly used in energy materials research,including neutron diffraction and neutron total scattering,which characterize material structures,and quasi-elastic neutron scattering and inelastic neutron scattering,which characterize lattice dynamics.Then,this review paper presents significant research progress in the field of energy materials utilizing neutron scattering as a primary characterization method.1)In the case of Ag8SnSe6 superionic thermoelectric materials,single crystal inelastic neutron scattering experiments have revealed that the“liquid-like phonon model”is not the primary contributor to ultra-low lattice thermal conductivity.Instead,extreme phonon anharmonic scattering is identified as a key factor based on the special temperature dependence of phonon linewidth.2)Analysis of quasi-elastic and inelastic neutron scattering spectra reveals the changes in the correlation between framework and Ag+sublattices during the superionic phase transition of Ag8SnSe6 compounds.Further investigations using neutron diffraction and molecular dynamics simulations reveal a new mechanism of superionic phase transition and ion diffusion,primarily gov

关 键 词：中子散射 热电材料 固态电解质 热卡效应 

分 类 号：O482[理学—固体物理]