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Interlayer Charge-density-wave Vector Phase Induced Structural Chirality

Sen ShaoDivision of Physics and Applied Physics ,Wei-Chi ChiuDepartment of Physics , Northeastern University , Boston , MA 02115 , USATao HouDivision of Physics and Applied Physics ,Naizhou WangInstitute of Applied PhysicsIlya BelopolskiRIKEN Center for Emergent Matter Science (CEMS) , Wako , Saitama 351-0198 , JapanYilin ZhaoInstitute of Applied PhysicsJinyang NiInstitute of Applied PhysicsQi ZhangYongkai LiLiu, JinjinMohammad YahyaviDivision of Physics and Applied Physics ,Yuanjun JinDivision of Physics and Applied Physics ,Qiange FengDivision of Physics and Applied Physics ,Peiyuan CuiDivision of Physics and Applied Physics ,Cheng-Long ZhangBeijing National Laboratory for Condensed Matter Physics , Institute of Physics , Chinese Academy of Sciences , Beijing 100190 , ChinaYugui YaoBeijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems , Beijing Institute of Technology , Beijing 100081 , ChinaZhiwei WangJia‐Xin YinDepartment of Physics , Southern University of Science and Technology , Shenzhen , Guangdong 518055 , ChinaSu‐Yang XuDepartment of Chemistry and Chemical Biology , Harvard University , Cambridge , MA , USAQiong MaDepartment of Physics , Boston College , Chestnut Hill , MA , USAWei-bo GaoInstitute of Applied PhysicsMd Shafayat HossainArun BansilDepartment of Physics , Northeastern University , Boston , MA 02115 , USAGuoqing ChangDivision of Physics and Applied Physics ,

2024en

Ochiq kirishYashil

Litsenziya: cc-by

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Annotatsiya

Chiral charge density waves (CDWs) have attracted intense interest due to their exotic quantum properties, yet the microscopic origin of structural chirality emerging from correlated charge order remains elusive. Here, we reveal that the interlayer phases of CDW vectors, an overlooked degree of freedom, play a crucial role in driving chiral structural displacements in layered CDW materials. By explicitly incorporating the interlayer phases in first-principles calculations, we successfully obtained the chiral structure of the CDW phases of AV_{3}Sb_{5} (A=K, Rb, and Cs) and 1T-TiSe_{2}. The electronic and optical properties of the predicted chiral structures are consistent with experimental measurements of these materials in their CDW phases. We further predict that 1T-NbSe_{2} is a promising material candidate for realizing chiral CDW order. Beyond materials prediction, our theory reveals that the chiral CDW can be manipulated by electron filling. Our Letter opens new avenues for discovering, designing, and engineering chiral CDW materials.

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DOI: 10.48550/arxiv.2411.03664

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