TY - JOUR
T1 - Monolayer as an Ideal Test Bed for the Universality Classes of 2D Magnetism
AU - Dupont, M.
AU - Kvashnin, Y. O.
AU - Shiranzaei, M.
AU - Fransson, J.
AU - Laflorencie, N.
AU - Kantian, A.
N1 - Funding Information:
A. K. would like to thank M. Abdel-Hafiez for fruitful discussions. M. D. was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division under Contract No. DE-AC02-05-CH11231 through the Scientific Discovery through Advanced Computing (SciDAC) program (KC23DAC Topological and Correlated Matter via Tensor Networks and Quantum Monte Carlo). Y. O. K. (Project No. 2019-03569) and J. F. acknowledge financial support from Swedish Research Council (VR). M. Sh. and J. F. thank Carl Tryggers Stiftelse for financial support. N. L. acknowledges the French National Research Agency (ANR) under Projects THERMOLOC ANR-16-CE30-0023-02, and GLADYS ANR-19-CE30-0013. This research used the Lawrencium computational cluster resource provided by the IT Division at the Lawrence Berkeley National Laboratory (Supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231). This research also used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. The DFT computations were performed using the resources provided by the Swedish National Infrastructure for Computing (SNIC) at the National Supercomputing Centre (NSC).
Publisher Copyright:
© 2021 American Physical Society
PY - 2021/7/16
Y1 - 2021/7/16
N2 - The monolayer halides (, Br, I) attract significant attention for realizing 2D magnets with genuine long-range order (LRO), challenging the Mermin-Wagner theorem. Here, we show that monolayer has the unique benefit of exhibiting tunable magnetic anisotropy upon applying a compressive strain. This opens the possibility to use for producing and studying both ferromagnetic and antiferromagnetic 2D Ising-type LRO as well as the Berezinskii-Kosterlitz-Thouless (BKT) regime of 2D magnetism with quasi-LRO. Using state-of-the-art density functional theory, we explain how realistic compressive strain could be used to tune the monolayer’s magnetic properties so that it could exhibit any of these phases. Building on large-scale quantum Monte Carlo simulations, we compute the phase diagram of strained , as well as the magnon spectrum with spin-wave theory. Our results highlight the eminent suitability of monolayer to achieve very high BKT transition temperatures, around 50 K, due to their singular dependence on the weak easy-plane anisotropy of the material.
AB - The monolayer halides (, Br, I) attract significant attention for realizing 2D magnets with genuine long-range order (LRO), challenging the Mermin-Wagner theorem. Here, we show that monolayer has the unique benefit of exhibiting tunable magnetic anisotropy upon applying a compressive strain. This opens the possibility to use for producing and studying both ferromagnetic and antiferromagnetic 2D Ising-type LRO as well as the Berezinskii-Kosterlitz-Thouless (BKT) regime of 2D magnetism with quasi-LRO. Using state-of-the-art density functional theory, we explain how realistic compressive strain could be used to tune the monolayer’s magnetic properties so that it could exhibit any of these phases. Building on large-scale quantum Monte Carlo simulations, we compute the phase diagram of strained , as well as the magnon spectrum with spin-wave theory. Our results highlight the eminent suitability of monolayer to achieve very high BKT transition temperatures, around 50 K, due to their singular dependence on the weak easy-plane anisotropy of the material.
UR - http://www.scopus.com/inward/record.url?scp=85110385780&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.127.037204
DO - 10.1103/PhysRevLett.127.037204
M3 - Article
C2 - 34328783
AN - SCOPUS:85110385780
SN - 0031-9007
VL - 127
JO - Physical Review Letters
JF - Physical Review Letters
IS - 3
M1 - 037204
ER -