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Keywords:

  • High-pressure chemistry;
  • Di­amond anvil cell;
  • Molecular metals;
  • Nickel;
  • S ligands

Abstract

Given that a molecular system has a soft lattice, high-pressure applications are effective ways to discover new single-component molecular metals and superconductors. In this study, we measured the high-pressure electrical resistivity of a single-component molecule crystal of [Ni(dmit)2] (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) up to 25.5 GPa by using a newly developed diamond anvil cell technique that generates high-quality hydrostatic pressures. We successfully observed the metallic state over a wide temperature range above 15.9 GPa. Two different band calculation methods, tight-binding calculations coupled with the interatomic repulsion model and ab initio DFT calculations, indicated that 2D and 3D Fermi surfaces appear under high pressures.