Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16Prague 2, Czech Republic.
Swiss Light Source, Paul Scherrer Institut, CH-5232Villigen PSI, Switzerland.
Nano Lett. 2023 Feb 22;23(4):1175-1180. doi: 10.1021/acs.nanolett.2c04045. Epub 2023 Feb 1.
The existence of the V-ion orbital moment is an open issue of the nature of magnetism in the van der Waals ferromagnet VI. The huge magnetocrystalline anisotropy in conjunction with the significantly reduced ordered magnetic moment compared to the spin-only value provides strong but indirect evidence of a large V orbital moment. We used the unique capability of X-ray magnetic circular dichroism to determine the orbital component of the total magnetic moment and provide a direct proof of an exceptionally sizable orbital moment of the V ion in VI. Our ligand field multiplet simulations of the XMCD spectra in synergy with the results of DFT calculations agree with the existence of two V sites with different orbital occupations and OM magnitudes in the ground state.
V 离子轨道磁矩的存在是范德瓦尔斯铁磁体 VI 中磁性质的一个悬而未决的问题。巨大的磁晶各向异性以及与自旋-only 值相比显著减小的有序磁矩提供了一个强大但间接的证据，证明了 V 轨道磁矩很大。我们利用 X 射线磁圆二色性的独特能力来确定总磁矩的轨道分量，并提供了 VI 中 V 离子异常大轨道磁矩的直接证据。我们的配体场多谱线模拟与 DFT 计算结果相结合，一致表明在基态下存在两个具有不同轨道占据和 OM 大小的 V 位点。
