• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical review, B. Condensed matter and materials physics >Structure and magnetism of Cr_2BP_3O_(12): Towards the quantum-classical crossover in a spin-32 alternating chain
【24h】

Structure and magnetism of Cr_2BP_3O_(12): Towards the quantum-classical crossover in a spin-32 alternating chain

机译：

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相关主题

摘要

Magnetic properties of the spin-32 Heisenberg system Cr_2BP)3O_(12) are investigated by magnetic susceptibility χ(T) measurements, electron spin resonance, neutron diffraction, and density functional theory (DFT) calculations, as well as classical and quantum Monte Carlo (MC) simulations. The broad maximum of χ(T) at 85 K and the antiferromagnetic Weiss temperature of 139 K indicate low-dimensional magnetic behavior. Below T_N=28 K, Cr_2BP_3O_(12) is antiferromagnetically ordered with the k=0 propagation vector and an ordered moment of 2.5μ_B/Cr. DFT calculations, including DFT+U and hybrid functionals, yield a microscopic model of spin chains with alternating nearest-neighbor couplings J_1 and J1′. The chains are coupled by two nonequivalent interchain exchanges of similar strength (～1-2 K), but different sign (antiferromagnetic and ferromagnetic). The resulting spin lattice is quasi-one-dimensional and not frustrated. Quantum MC simulations show excellent agreement with the experimental data for the parameters J_1 50 K and J1′/J10.5. Therefore, Cr_2BP_3O _(12) is close to the gapless critical point (J1′/J _1=0.41) of the spin-32 bond-alternating Heisenberg chain. The applicability limits of the classical approximation are addressed by quantum and classical MC simulations. Implications for a wide range of low-dimensional S=3/2 materials are discussed.

著录项

获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号