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Disassembling one-dimensional chains in molybdenum oxides

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Disassembling one-dimensional chains in molybdenum oxides
The dimensionality of quantum materials strongly affects their physical properties.Although many emergent phenom-ena,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 MoO6 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.

electronic structuremolybdenum oxideone-dimensiondensity-functional theory

杜宪、李义典、赵文轩、许润哲、翟恺熠、陈宇林、杨乐仙

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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 OX1 3PU,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

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electronic structure molybdenum oxide one-dimension density-functional theory

2024

10.1088/1674-1056/ad8bb2

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(12)