Development of single-component molecular conductors by using extended TTF-type dithiolate ligands with freedom of movement

2021 Fiscal Year Final Research Report

• Project/Area Number: 17K05846
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Functional solid state chemistry
• Research Institution: Nihon University
• Principal Investigator: ZHOU Biao 日本大学, 文理学部, 教授 (80434067)
• Project Period (FY): 2017-04-01 – 2022-03-31
• Keywords: 単一分子性伝導体 / ディラック電子系 / 分子運動自由度

Outline of Final Research Achievements

The single-component molecular conductors are newly emerging molecular materials, which have brought about diverse electronic phases originating from intramolecular multi-orbitals. The single-component molecular conductors [M(dmdt)2] (M = Ni, Pd, Pt) systems, are sought-after ambient-pressure molecular massless Dirac materials. Band calculations based on first-principles density functional theory reveal three-dimensional Dirac nodal lines lying approximately at the Fermi level. Temperature-insensitive conductivity and temperature-dependent spin susceptibility nearly vanishing at low temperature, in conjunction with the band-structure calculations, indicate that [M(dmdt)2] systems host strongly correlated massless Dirac electrons with nodal lines at ambient pressure, not previously substantiated in molecular materials.

Free Research Field

機能物質化学

Academic Significance and Societal Importance of the Research Achievements

単一分子性伝導体により常圧分子性ディラック電子系が実現されたことから、他の高圧分子性ディラック系では不可能な物性測定を容易に行う事が出来る。常圧下で種々の物性測定により、分子性ディラック電子系の物理的な性質を明らかにすることがひとつの鍵となる。また、単一分子性伝導体の中心金属の違いにより電子物性が大きく異なる特徴があることから、分子性物質の電子構造や、機能を理解するのに重要な情報を提供できると考えられる。