Disassembling one-dimensional chains in molybdenum oxides  

作　　者：Xian Du Yidian Li Wenxuan Zhao Runzhe Xu Kaiyi Zhai Yulin Chen Lexian Yang 杜宪;李义典;赵文轩;许润哲;翟恺熠;陈宇林;杨乐仙(State Key Laboratory of Low Dimensional Quantum Physics,Department of Physics,Tsinghua University,Beijing 100084,China;Department of Physics,Clarendon Laboratory,University of Oxford,Parks Road,Oxford OX13PU,UK;School of Physical Science and Technology,ShanghaiTech University and CAS-Shanghai Science Research Center,Shanghai 201210,China;ShanghaiTech Laboratory for Topological Physics,Shanghai 200031,China;Frontier Science Center for Quantum Information,Beijing 100084,China;Collaborative Innovation Center of Quantum Matter,Beijing 100084,China)

机构地区：[1]State Key Laboratory of Low Dimensional Quantum Physics,Department of Physics,Tsinghua University,Beijing 100084,China [2]Department of Physics,Clarendon Laboratory,University of Oxford,Parks Road,Oxford OX13PU,UK [3]School of Physical Science and Technology,ShanghaiTech University and CAS-Shanghai Science Research Center,Shanghai 201210,China [4]ShanghaiTech Laboratory for Topological Physics,Shanghai 200031,China [5]Frontier Science Center for Quantum Information,Beijing 100084,China [6]Collaborative Innovation Center of Quantum Matter,Beijing 100084,China

出　　处：《Chinese Physics B》2024年第12期130-138,共9页中国物理B（英文版）

摘　　要：The dimensionality of quantum materials strongly affects their physical properties.Although many emergent phenomena,such as charge-density wave and Luttinger liquid behavior,are well understood in one-dimensional(1D)systems,the generalization to explore them in higher dimensional systems is still a challenging task.In this study,we aim to bridge this gap by systematically investigating the crystal and electronic structures of molybdenum-oxide family compounds,where the contexture of 1D chains facilitates rich emergent properties.While the quasi-1D chains in these materials share general similarities,such as the motifs made up of MoO_(6)octahedrons,they exhibit vast complexity and remarkable tunability.We disassemble the 1D chains in molybdenum oxides with different dimensions and construct effective models to excellently fit their low-energy electronic structures obtained by ab initio calculations.Furthermore,we discuss the implications of such chains on other physical properties of the materials and the practical significance of the effective models.Our work establishes the molybdenum oxides as simple and tunable model systems for studying and manipulating the dimensionality in quantum systems.

关 键 词：electronic structure molybdenum oxide ONE-DIMENSION density-functional theory 

分 类 号：O469[理学—凝聚态物理]