发表机构
Skobeltsyn Institute of Nuclear Physics, Moscow State University; St. Petersburg State University; School of Physics, Harbin Institute of Technology（莫斯科国立大学索别尔曼核物理研究所; 圣彼得堡国立大学; 哈尔滨工业大学物理学院）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
该研究从第一性原理计算了石墨中除朗道能级外的弱磁化率贡献，发现泡利顺磁性可忽略，而朗之万和范弗莱克机制的抗磁性贡献与面内实验值相当且轻微各向异性。
AI 中文摘要
单晶石墨在垂直于石墨烯层方向上的异常大抗磁化率是由朗道能级引起的。然而，磁化率还有其他贡献。特别是在金属中，泡利顺磁性占主导，而在电介质中，抗磁性的朗之万项和顺磁性的范弗莱克项至关重要。这些磁化率分量也存在于石墨中。在这项工作中，我们从第一性原理计算了所有这些小贡献的大小。研究发现，泡利顺磁性可忽略不计（2.3 x 10^{-9} emu/g），而另一个抗磁性贡献——来自朗之万和范弗莱克机制——与石墨的面内实验抗磁性以及C60和C70富勒烯的抗磁响应相当。该抗磁性贡献显示出轻微的各向异性（沿x轴或y轴为-2.93 x 10^{-7} emu/g，沿z轴为-2.24 x 10^{-7} emu/g），平均值为-2.7 x 10^{-7} emu/g。
英文摘要
The exceptionally large diamagnetic susceptibility of a single-crystal graphite in the direction perpendicular to the graphene layers is caused by the Landau levels. However, there are also other contributions to the magnetic susceptibility. In particular, in metals the Pauli paramagnetism is leading, whereas in dielectrics the diamagnetic Langevin and paramagnetic Van Vleck terms are essential. These components of magnetic susceptibility are also present in graphite. In this work, we calculate the magnitudes of all these small contributions from first principles. It is found that the Pauli paramagnetism is negligible (2.3 x 10^{-9} emu/g), whereas the other diamagnetic contribution - arising from the Langevin and Van Vleck mechanisms - is comparable to the in-plane experimental diamagnetism of graphite and to the diamagnetic response of C60 and C70} fullerenes. This diamagnetic contribution proves to be slightly anisotropic (-2.93 x 10^{-7} emu/g along the x- or y-axes and -2.24 x 10^{-7} emu/g along the $z-$axis), with the averaged value -2.7 x 10^{-7} emu/g.
