Screening Promising CsV_(3)Sb_(5)-Like Kagome Materials from Systematic First-Principles Evaluation  

作　　者：Yutao Jiang Ze Yu Yuxin Wang Tenglong Lu Sheng Meng Kun Jiang Miao Liu 姜昱韬;喻泽;王郁欣;芦腾龙;孟胜;蒋坤;刘淼(Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;School of Physical Sciences,University of Chinese Academy of Sciences,Beijing 100190,China;Songshan Lake Materials Laboratory,Dongguan 523808,China;Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China [2]School of Physical Sciences,University of Chinese Academy of Sciences,Beijing 100190,China [3]Songshan Lake Materials Laboratory,Dongguan 523808,China [4]Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China

出　　处：《Chinese Physics Letters》2022年第4期54-60,共7页中国物理快报（英文版）

基　　金：the financial support from the Chinese Academy of Sciences(Grant Nos.ZDBS-LY-SLH007,XDB33020000,and CAS-WX2021PY-0102);the National Natural Science Foundation of China(Grant No.12174428)。

摘　　要：The Cs V_(3)Sb_(5) kagome lattice holds the promise for manifesting electron correlation,topology and superconductivity.However,by far only three Cs V_(3)Sb_(5)-like kagome materials have been experimentally spotted.We enlarge this family of materials to 1386 compounds via element species substitution,and the further screening process suggests that 28 promising candidates have superior thermodynamic stability,hence they are highly likely to be synthesizable.Moreover,these compounds possess several unique electronic structures,and can be categorized into five non-magnetic and three magnetic groups accordingly.It is our hope that this work can greatly expand the viable phase space of the Cs V_(3)Sb_(5)-like materials for investigating or tuning the novel quantum phenomena in kagome lattice.

关 键 词：tuning holds hence 

分 类 号：O469[理学—凝聚态物理]