期刊论文详细信息
Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10 | |
Article | |
关键词: STRONGLY CORRELATED SYSTEMS; ELECTRONIC-STRUCTURE; SPECTRA; | |
DOI : 10.1103/PhysRevB.86.064429 | |
来源: SCIE |
【 摘 要 】
The magnetic and electronic properties of Ba4Ru3O10 were investigated by the ab initio and model calculations. It is shown that nonmagnetic ground state of the one-third Ru4+ ions is not due to the correlation effects. It is rather caused by the charge disproportionation between crystallographically different Ru and the molecular orbital formation in the Ru's trimer.
【 授权许可】
Free