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Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)<sub>2</sub>]
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- Satomi Ogura
- Department of Chemistry, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550, Japan
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- Yuki Idobata
- Department of Chemistry, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550, Japan
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- Biao Zhou
- Department of Chemistry, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550, Japan
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- Akiko Kobayashi
- Department of Chemistry, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550, Japan
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- Rina Takagi
- Department of Applied Physics, University of Tokyo, Bunkyo-ku, Tokyo 113-8656, Japan
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- Kazuya Miyagawa
- Department of Applied Physics, University of Tokyo, Bunkyo-ku, Tokyo 113-8656, Japan
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- Kazushi Kanoda
- Department of Applied Physics, University of Tokyo, Bunkyo-ku, Tokyo 113-8656, Japan
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- Hidetaka Kasai
- Faculty of Pure and Applied Science, Center for Integrated Research in Fundamental Science and Engineering (CIRFSE), and Tsukuba Research Center for Interdisciplinary Materials Science (TIMS), University of Tsukuba, Tsukuba 305-8571, Japan
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- Eiji Nishibori
- Faculty of Pure and Applied Science, Center for Integrated Research in Fundamental Science and Engineering (CIRFSE), and Tsukuba Research Center for Interdisciplinary Materials Science (TIMS), University of Tsukuba, Tsukuba 305-8571, Japan
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- Chikatoshi Satoko
- Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550, Japan
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- Bernard Delley
- Condensed Matter Theory Group, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland
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Description
Crystals of [Pd(tmdt)2] (tmdt = trimethylenetetrathiafulvalenedithiolate) were prepared in order to investigate their physical properties. The electrical resistivity of [Pd(tmdt)2] was measured on single crystals using two-probe methods and showed that the room-temperature conductivity was 100 S·cm(-1). The resistivity behaviors implied that [Pd(tmdt)2] was a semimetal at approximately room temperature and became narrow-gap semiconducting as the temperature was decreased to the lowest temperature. X-ray structural studies on small single crystals of [Pd(tmdt)2] at temperatures of 20-300 K performed using synchrotron radiation at SPring-8 showed no distinct structural change over this temperature region. However, small anomalies were observed at approximately 100 K. Electron spin resonance (ESR) spectra were measured over the temperature range of 2.7-301 K. The ESR intensity increased as the temperature decreased to 100 K and then decreased linearly as the temperature was further decreased to 50 K, where an abrupt decrease in the intensity was observed. To investigate the magnetic state, (1)H nuclear magnetic resonance (NMR) measurements were performed in the temperature range of 2.5-271 K, revealing broadening below 100 K. The NMR relaxation rate gradually increased below 100 K and formed a broad peak at approximately 50 K, followed by a gradual decrease down to the lowest temperature. These results suggest that most of the sample undergoes the antiferromagnetic transition at approximately 50 K with the magnetic ordering temperatures distributed over a wide range up to 100 K. These electric and magnetic properties of [Pd(tmdt)2] are quite different from those of the single-component molecular (semi)metals [Ni(tmdt)2] and [Pt(tmdt)2], which retain their stable metallic states down to extremely low temperatures. The experimental results and the band structure calculations at the density functional theory level showed that [Pd(tmdt)2] may be an antiferromagnetic Mott insulator with a strong electron correlation.
Journal
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- Inorganic Chemistry
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Inorganic Chemistry 55 (15), 7709-7716, 2016-07-15
American Chemical Society (ACS)
