TY - JOUR
T1 - Unconventional dual 1D–2D quantum spin liquid revealed by ab initio studies on organic solids family
AU - Ido, Kota
AU - Yoshimi, Kazuyoshi
AU - Misawa, Takahiro
AU - Imada, Masatoshi
N1 - Funding Information:
The authors thank Reizo Kato for discussions and clarifications on the experimental results and Shigeki Fujiyama for notifying his unpublished result on the coexistence of AF and QSL phases for -EtMeAs[Pd(dmit)] and -MeSb[Pd(dmit)]. K.I. thanks Yusuke Nomura for useful comments and the implementation on the restricted Boltzmann machine correlator. T.M. and K.Y. thank Takao Tsumuraya for discussions on the derivation of the ab initio Hamiltonians. This work was supported in part by KAKENHI Grant No. 16H06345 and 19K14645 from JSPS. This research was also supported by MEXT as “program for Promoting Researches on the Supercomputer Fugaku"(Basic Science for Emergence and Functionality in Quantum Matter—Innovative Strongly Correlated Electron Science by Integration of Fugaku and Frontier Experiments, JPMXP1020200104). We thank the Supercomputer Center, the Institute for Solid State Physics, and The University of Tokyo for the use of the facilities. We also thank the computational resources of supercomputer Fugaku provided by the RIKEN Center for Computational Science (Project ID: hp200132 and hp210163) and Oakbridge-CX in the Information Technology Center, The University of Tokyo. 2 2 2 2 4 2 2
Publisher Copyright:
© 2022, The Author(s).
PY - 2022/12
Y1 - 2022/12
N2 - Organic solids host various electronic phases. Especially, a milestone compound of organic solid, β′-X[Pd(dmit)2]2 with X=EtMe3Sb shows quantum spin-liquid (QSL) properties suggesting a novel state of matter. However, the nature of the QSL has been largely unknown. Here, we computationally study five compounds comprehensively with different X using 2D ab initio Hamiltonians and correctly reproduce the experimental phase diagram with antiferromagnetic order for X=Me4P, Me4As, Me4Sb, Et2Me2As and a QSL for X=EtMe3Sb without adjustable parameters. We find that the QSL for X=EtMe3Sb exhibits 1D nature characterized by algebraic decay of spin correlation along one direction, while exponential decay in the other direction, indicating dimensional reduction from 2D to 1D. The 1D nature indeed accounts for the experimental specific heat, thermal conductivity and magnetic susceptibility. The identified QSL, however, preserves 2D nature as well consistently with spin fractionalization into spinon with Dirac-like gapless excitations and reveals duality bridging the 1D and 2D QSLs.
AB - Organic solids host various electronic phases. Especially, a milestone compound of organic solid, β′-X[Pd(dmit)2]2 with X=EtMe3Sb shows quantum spin-liquid (QSL) properties suggesting a novel state of matter. However, the nature of the QSL has been largely unknown. Here, we computationally study five compounds comprehensively with different X using 2D ab initio Hamiltonians and correctly reproduce the experimental phase diagram with antiferromagnetic order for X=Me4P, Me4As, Me4Sb, Et2Me2As and a QSL for X=EtMe3Sb without adjustable parameters. We find that the QSL for X=EtMe3Sb exhibits 1D nature characterized by algebraic decay of spin correlation along one direction, while exponential decay in the other direction, indicating dimensional reduction from 2D to 1D. The 1D nature indeed accounts for the experimental specific heat, thermal conductivity and magnetic susceptibility. The identified QSL, however, preserves 2D nature as well consistently with spin fractionalization into spinon with Dirac-like gapless excitations and reveals duality bridging the 1D and 2D QSLs.
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U2 - 10.1038/s41535-022-00452-8
DO - 10.1038/s41535-022-00452-8
M3 - Article
AN - SCOPUS:85128630509
SN - 2397-4648
VL - 7
JO - npj Quantum Materials
JF - npj Quantum Materials
IS - 1
M1 - 48
ER -