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Akiko Kobayashi - Department of Chemistry, College of Humanities and Sciences, Nihon University, Tokyo Japan

Structures and Physical Properties of Single-component Molecular Conductors, M(tmdt)2 [M = Ni, Au, Pt, Pd, Cu


Prix l’Oréal 2009

 

 

We have developed metallic crystals consisting of single kind of molecules(single-component molecular metals). The first example is Ni(tmdt)2 (tmdt=trimethylenedithiotetrathiafulvalene). The existence of its three-dimensional electron and hole Fermi surfaces was confirmed by the de Haas-van Alphen effect. M(tmdt)2 (M=Au,Pd, Pt , Cu) are isostructure to Ni(tmdt)2.

 

Au(tmdt)2 had an antiferromagnetic phase transition at around 110 K, keeping its metallic state down to 4 K. Au(tmdt)2 is the first AF molecular metal with TN above 100 K and is a novel metal in which pi electron and magnetic order coexist down to low temperature. Pt(tmdt)2 is metallic down to 4K, although it was measured by compressed pellet samples. Very recently, we prepared Cu(tmdt)2 , which is isostructure to Ni(tmdt)2. This compound is unusual because it is a planar molecule. The electrical conductivity is not so high, 2 Scm-1 at room temperature measured by compress pellet samples. Magnetic behavior is very interesting, because d sigma electron is on the frontier MO.

 

We will discuss the difference of the physical properties of these compounds based on ab initio MO and band structure calculations.

 

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