Date： Mar. 28 (Mon.), 2022 16:00-
Place： On Zoom (Access information will be provided to you after the registration)
Speaker：Takahiro Misawa
Affiliation： Beijing Academy of Quantum Information Sciences
Title :  Systematic ab initio study on quantum spin liquid in organic solids β’-X[Pd(dmit)_2]_2


Abstract：
  In this talk, first, I will introduce our activity on developing open-source software packages (mVMC [1], HΦ [2], and RESPACK [3]) for treating strongly correlated electron systems. Combining these software packages, it is now possible to perform fully ab initio (non-empirical) calculations for strongly correlated electron systems. As an example, I will talk about the recent application to the organic solids (β’-X[Pd(dmit)_2]_2, X represents a cation) [4-6], where the quantum spin liquid behavior is found in X=EtMe_3Sb. By deriving and analyzing the ab initio low-energy effective Hamiltonians for all the 9 compounds in β’-X[Pd(dmit)_2]_2, we have found that the magnetic ordered moment is significantly suppressed around the spin-liquid candidate EtMe_3Sb. Using the variational Monte Carlo method, we have also shown that 1D anisotropic quantum spin liquid appears in the effective Hamiltonians of EtMe_3Sb. We have demonstrated that the 1D nature of the quantum spin liquid can explain the thermodynamic quantities observed in EtMe_3Sb such as large thermal conductivity.

[1] https://www.pasums.issp.u-tokyo.ac.jp/mvmc/en/
[2] https://www.pasums.issp.u-tokyo.ac.jp/hphi/en/
[3] https://sites.google.com/view/kazuma7k6r
[4] T. Misawa, K. Yoshimi, and T. Tsumuraya, Phys. Rev. Research 2, 032072 (R) (2020).
[5] K. Yoshimi, T. Tsumuraya, and T. Misawa, Phys. Rev. Research 3, 033224 (2021).
[6] K. Ido, K. Yoshimi, T. Misawa, and M. Imada, arXiv:2202.07182.

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Contact: Kazuyoshi Yoshimi (ext.63451)