Magnetic and thermal properties of phosphorene quantum rings

IF 2 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2025-05-16 DOI:10.1007/s10910-025-01732-x

Xilong Bai, Zhensheng Lu, Liu Long

引用次数: 0

Abstract

We consider an electron confined in a quantum ring (QR) defined electrostatically within the phosphorene monolayer. A confinement potential with an elliptical shape is employed to account for the anisotropy of the effective masses. The Schrödinger equation is solved, leading to the determination of the energy levels. Subsequently, the Shannon formalism is applied to compute the probability distribution and partition function of the system. Finally, the magnetic and thermodynamic properties of the phosphorene QR are analyzed. The results reveal that the magnetic susceptibility exhibits a negative value, indicative of diamagnetic behavior. A maximum value of magnetic susceptibility is observed at low temperatures and high magnetic fields. At elevated magnetic temperatures, the specific heat remains constant, even in the absence of an external magnetic field.

Abstract Image

查看原文本刊更多论文

磷系量子环的磁性和热性质

我们考虑一个电子被限制在一个量子环（QR）静电定义在磷烯单层。采用椭圆约束势来解释有效质量的各向异性。求解Schrödinger方程，从而确定能级。随后，应用香农公式计算了系统的概率分布和配分函数。最后，分析了磷二烯QR的磁性和热力学性质。结果表明，其磁化率为负值，表明其具有抗磁性。在低温和强磁场下，磁化率达到最大值。在磁场温度升高的情况下，即使没有外部磁场，比热也保持不变。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Mathematical Chemistry 化学-化学综合

CiteScore

3.70

自引率

17.60%

发文量

105

审稿时长

6 months

期刊介绍： The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.