Theoretical Study on Ferrimagnetism of New Material Sr8CaRe3Cu4O24
Theoretical Study on Ferrimagnetism of New Material Sr8CaRe3Cu4O24
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新材料Sr8CaRe3Cu4O24亚铁磁性的理论研究
DOI：
10.1143/jpsjs.74s.98
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发表时间：
2005
影响因子：
1.7
通讯作者：
X. Hu
中科院分区：
文献类型：
--
作者：
M. Kohno;X. Wan;X. Hu
用量子蒙特卡罗方法、格林函数方法和局域自旋密度近似加Hubbard-U项(LSDA+U)方法研究了新近发现的新相Sr8CaE3Cu4O24的磁性.在LSDA+U计算的基础上，我们得到了该材料磁性的有效模型。得到的有效模型是三维自旋交替的海森堡模型。我们用量子蒙特卡罗方法和格林函数方法研究了这个有效模型的热力学性质。数值计算结果与Sr8CaE3Cu4O24的实验结果定量一致。通过对有效模型的分析，进一步对该材料进行了预测。
Magnetic properties of the recently-discovered new phase of Sr 8 CaRe 3 Cu 4 O 24 are investigated by means of a quantum Monte Carlo method, the Green function method and the local spin-density approximation plus Hubbard- U term (LSDA+U) method. We derive an effective model for magnetic properties of this material based on the LSDA+U calculation. The resultant effective model is a spin-alternating Heisenberg model in three dimensions. We investigate thermodynamic properties of this effective model by a quantum Monte Carlo method and the Green function method. Numerical results are quantitatively consistent with experimental results of Sr 8 CaRe 3 Cu 4 O 24 . We further make some predictions for this material through analysis of the effective model.