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arXiv 1104.4922cond-mat.str-el
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TiPO $_4$中的Spin-Peierls跃迁

Spin-Peierls transition in TiPO$_4$

J. M. Law, C. Hoch, R. Glaum, I. Heinmaa, R. Stern, J. Kang, C. Lee, M. -H. Whangbo, R. K. Kremer

摘要:

我们通过磁化率、热容、ESR、X射线衍射、NMR测量和密度泛函计算研究了准一维3-$d^1$ -量子链系统TiPO $_4$($J \sim$ 965 K)的磁性和结构性质。TiPO $_4$经历了两次磁结构相变,一次在111 K,另一次在74 K.在74 K以下,NMR检测到两个不同的$^{31}$ P信号和磁化率消失,而DFT计算证明了Ti的键交替。每条链内的Ti距离。因此,74 K相变是从存在于111 K和74 K之间的无公度相演变而来的自旋Peierls相变。

英文摘要:

We investigated the magnetic and structural properties of the quasi-one dimensional 3$d^1$-quantum chain system TiPO$_4$ ($J \sim$ 965 K) by magnetic susceptibility, heat capacity, ESR, x-ray diffraction, NMR measurements, and by density functional calculations. TiPO$_4$ undergoes two magnetostructural phase transitions, one at 111 K and the other at 74 K. Below 74 K, NMR detects two different $^{31}$P signals and the magnetic susceptibility vanishes, while DFT calculations evidence a bond alternation of the Ti...Ti distances within each chain. Thus, the 74 K phase transition is a spin-Peierls transition which evolves from an incommensurate phase existing between 111 K and 74 K.

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