量子非平衡态与输运计算物理  

Computational quantum non-equilibrium and transport physics

作　　者：柯友启 孟胜[2] 夏钶 魏苏淮 KE YouQi;MENG Sheng;XIA Ke;WEI SuHuai(School of Physical Science and Technology,ShanghaiTech University,Shanghai 201210,China;Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;School of Physics,Southeast University,Nanjing 211189,China;Beijing Computational Research Center,Beijing 100193,China)

机构地区：[1]上海科技大学物质科学与技术学院,上海201210 [2]中国科学院物理研究所,北京100190 [3]东南大学物理学院,南京211189 [4]北京计算科学研究中心,北京100193

出　　处：《中国科学：物理学、力学、天文学》2024年第4期31-34,共4页Scientia Sinica Physica,Mechanica & Astronomica

摘　　要：在外场驱动下,系统会偏离平衡态分布规律进入非平衡状态,产生包括电荷和能量的输运现象以及丰富的非平衡亚稳态新奇物相.电荷和能量通过一个量子多体材料系统进行传输是能量与信息的转化和存储中的基本过程,而在远离平衡态条件下材料的物性能发生极大的改变.对材料和器件包括输运特性在内的非平衡物态进行深入理解和精确计算是提升物质特性调控能力的核心,是促进相关制造技术进步的关键,构成凝聚态物理和计算物理的前沿研究领域.Under external driving forces,the system deviates from the equilibrium distribution and enters a non-equilibrium state,resulting in transport phenomena of both charge and energy and the emergence of many novel non-equilibrium phases.The transport of charge and energy through a quantum many-body material system is a fundamental process in the conversion and storage of energy and information,and material properties can undergo significant changes at the far-from-equilibrium conditions.A deep understanding and accurate calculation of non-equilibrium states in materials and devices,including transport properties,are essential for enhancing the control of material properties and advancing the related manufacturing technologies,constituting a key aspect of condensed matter physics and computational physics.

关 键 词：量子非平衡动力学 量子输运 瞬态 稳态 非平衡态格林函数 含时密度泛函理论 波函数方法 

分 类 号：O413[理学—理论物理]