TY - JOUR
T1 - Screening magnetic two-dimensional atomic crystals with nontrivial electronic topology
AU - Liu, Hang
AU - Sun, Jia Tao
AU - Liu, Miao
AU - Meng, Sheng
N1 - Publisher Copyright:
© 2018 American Chemical Society.
PY - 2018/12/6
Y1 - 2018/12/6
N2 - To date, only a few two-dimensional (2D) magnetic crystals have been experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-principles screening over a large set of materials yields 89 magnetic monolayers including 56 ferromagnetic (FM) and 33 antiferromagnetic compounds. Among them, 24 FM monolayers are promising candidates possessing TC higher than that of CrI3. High TC monolayers with fascinating electronic phases are identified: (i) quantum anomalous Hall and valley Hall effects coexist in a single material RuCl3 or VCl3, leading to a valley-polarized quantum anomalous Hall state; (ii) TiBr3, Co2NiO6, and V2H3O5 are revealed to be half-metals. More importantly, a new type of fermion dubbed type-II Weyl ring is discovered in ScCl. Our work provides a database of 2D magnetic materials, which could guide experimental realization of high-temperature magnetic monolayers with exotic electronic states for future spintronics and quantum computing applications.
AB - To date, only a few two-dimensional (2D) magnetic crystals have been experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-principles screening over a large set of materials yields 89 magnetic monolayers including 56 ferromagnetic (FM) and 33 antiferromagnetic compounds. Among them, 24 FM monolayers are promising candidates possessing TC higher than that of CrI3. High TC monolayers with fascinating electronic phases are identified: (i) quantum anomalous Hall and valley Hall effects coexist in a single material RuCl3 or VCl3, leading to a valley-polarized quantum anomalous Hall state; (ii) TiBr3, Co2NiO6, and V2H3O5 are revealed to be half-metals. More importantly, a new type of fermion dubbed type-II Weyl ring is discovered in ScCl. Our work provides a database of 2D magnetic materials, which could guide experimental realization of high-temperature magnetic monolayers with exotic electronic states for future spintronics and quantum computing applications.
UR - https://www.scopus.com/pages/publications/85056742873
U2 - 10.1021/acs.jpclett.8b02783
DO - 10.1021/acs.jpclett.8b02783
M3 - Article
C2 - 30403873
AN - SCOPUS:85056742873
SN - 1948-7185
VL - 9
SP - 6709
EP - 6715
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 23
ER -