arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 2602.16501cond-mat.stat-mechcond-mat.mtrl-scicond-mat.str-el
收藏

有限温度下自旋的量子-经典对应关系及其在蒙特卡洛模拟中的应用

Quantum-classical correspondence for spins at finite temperatures: theory and applications

Université Grenoble Alpes(格勒诺布尔阿尔卑斯大学);CEA, IRIG, PHELIQS(法国原子能与替代能源委员会,研究创新与核能研究所,物理和生命科学系);Institut Laue Langevin(朗之万研究所)

A. El Mendili, M. E. Zhitomirsky

AI总结:

该研究通过量子-经典对应关系,在有限温度下为自旋系统提供经典建模基础,并通过蒙特卡洛模拟验证了多种材料的转变温度与实验数据的一致性。

摘要:

我们考虑了有限温度下相互作用自旋系统的量子到经典映射。我们证明,在大-S极限下,配分函数的渐进行为与自旋长度为S_C=√[S(S+1)]的经典模型相同。量子修正项形成一个以1/[S(S+1)]为幂级数的序列。这种表示为经典建模实际磁Hamiltonian提供了严格的基础。作为应用,进行了经典蒙特卡洛模拟,以计算几种具有已知相互作用参数的典型材料的转变温度,包括MnF₂、MnTe、Rb₂MnF₄、MnPSe₃、FePS₃、FePSe₃、CoPS₃、CrSBr和CrI₃。所得的转变温度与实验数据有良好的一致性。

英文摘要:

We derive a rigorous quantum-to-classical mapping for interacting spin systems at finite temperatures. Specifically, the large-$S$ asymptotic form of the partition function is given by the partition function of a classical model for vectors of length $S_C=\sqrt{S(S+1)}$. Quantum corrections to the asymptotic result form a series in powers of $1/[S(S+1)]$. We calculate the leading temperature-independent quantum correction to the magnetic anisotropy constant. The established mapping justifies the use of classical Monte Carlo simulations for realistic magnetic Hamiltonians, including anisotropic and frustrated interactions. As an application, we compute the Curie and Néel temperatures for a range of magnetic materials with known microscopic interaction constants. The obtained transition temperatures are in good agreement with measured values. Monte Carlo results for the magnetic susceptibility of the collinear antiferromagnet MnF$_2$ above and below the transition are also compared with experimental data.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑