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Magnetic susceptibility, heat capacity, and optical conductivity of LiPc and LiPcI

机译:LiPc和LiPcI的磁化率,热容和光导率

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摘要

The magnetic susceptibility, using dc and electron spin resonance (ESR) methods, the specific heat, and the infrared properties of the one-dimensional molecular semiconductors lithium phthalocyanine (LiPc) and iodinated compound LiPcI have been investigated for temperatures 1.5 K ≤ t ≤ 300 K. LiPc has a half-filled conduction band and is expected to be an organic metal. However, due to the strong Coulomb repulsion the system is a one-dimensional Mott-Hubbard insulator with a Hubbard gap of 0.75 eV as inferred from optical measurements. The localized electrons along the molecular stacks behave like a S = 1/2 antiferromagnetic spin chain. The spin susceptibility, as determined by ESR experiments, and the magnetic contribution to the heat capacity show a Bonner-Fisher type of behavior with an exchange constant J ≈ 40 K. LiPcI is an intrinsic narrow-gap semiconductor with an optical gap of 0.43 eV. In ESR experiments it is silent, indicating that all the unpaired electrons have been removed from the macrocycle via doping with iodine.
机译:研究了使用直流和电子自旋共振(ESR)方法的磁化率,一维分子半导体酞菁锂(LiPc)和碘化化合物LiPcI在1.5 K≤t≤300的温度下的比热和红外特性K. LiPc具有一半填充的导带,有望成为有机金属。但是,由于强大的库仑斥力,该系统是一维Mott-Hubbard绝缘体,从光学测量可以推断出其Hubbard间隙为0.75 eV。沿着分子堆叠的局部电子的行为类似于S = 1/2的反铁磁自旋链。由ESR实验确定的自旋磁化率和磁对热容的贡献显示出Bonner-Fisher类型的行为,交换常数J≈40K。LiPcI是本征窄间隙半导体,光学间隙为0.43 eV 。在ESR实验中,它是无声的,表明通过掺杂碘已从大环中除去了所有未配对的电子。

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