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Pressure‐Induced Metallic Conductivity in the Single‐Component Molecular Crystal [Ni(dmit) 2 ]
Author(s) -
Cui Hengbo,
Tsumuraya Takao,
Miyazaki Tsuyoshi,
Okano Yoshinori,
Kato Reizo
Publication year - 2014
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201400130
Subject(s) - chemistry , hydrostatic pressure , diamond anvil cell , electrical resistivity and conductivity , ab initio quantum chemistry methods , single crystal , ab initio , diamond , metal , conductivity , superconductivity , condensed matter physics , crystal (programming language) , molecule , crystallography , high pressure , thermodynamics , physics , organic chemistry , electrical engineering , engineering , programming language , computer science
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.