首页|Unconventional phonon spectra and obstructed edge phonon modes

Unconventional phonon spectra and obstructed edge phonon modes

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Based on the elementary band representations(EBR),many topologically trivial materials are classified as unconventional ones(obstructed atomic limit),where the EBR decomposition for a set of electronic states is not consistent with atomic valence-electron band representations.In the work,we identify that the unconventional nature can also exist in phonon spectra,where the EBR decomposition for a set of well-separated phonon modes is not consistent with atomic vibration band representations(ABR).The unconventionality has two types:type Ⅰ is on an empty site;and type Ⅱ is on an atom site with non-atomic vibration orbitals.The unconventionality is described by the nonzero real-space invariant at the site.Our detailed calculations show that the black phosphorus(BP)has the type Ⅰ unconventional phonon spectrum,while 1H-MoSe2 has the type Ⅱ one,although their electronic structures are also unconventional.Accordingly,the obstructed phonon modes are obtained for two types of unconventional phonon spectra.

unconventional phonon spectraobstructed edge phonon modetype Ⅰ & type Ⅱ unconventionality

Ruihan Zhang、Haohao Sheng、Junze Deng、Zhong Fang、Zhilong Yang、Zhijun Wang

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Beijing National Laboratory for Condensed Matter Physics,and Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China

University of Chinese Academy of Sciences,Beijing 100049,China

国家自然科学基金国家自然科学基金中国科学院战略规划重点项目National Key Research and Development Program of ChainCenter for Materials Genome

1197439512188101XDB330000002022YFA1403800

2024

10.1007/s11433-023-2271-y

中国科学:物理学 力学 天文学(英文版)
中国科学院

中国科学:物理学 力学 天文学(英文版)

CSTPCD
影响因子：0.91
ISSN：1674-7348
年,卷(期)：2024.67(4)
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