We investigate magnetic ordering and electronic structures of Cr2MoO6under hydrostatic pressure. To overcome the band gap problem, the modified Becke and Johnson exchange potential is used to investigate the electroni...We investigate magnetic ordering and electronic structures of Cr2MoO6under hydrostatic pressure. To overcome the band gap problem, the modified Becke and Johnson exchange potential is used to investigate the electronic structures of Cr2MoO6. The insulating nature at the experimental crystal structure is produced, with a band gap of 1.04 eV, and the magnetic moment of the Cr atom is 2.50 μB, compared to an experimental value of about 2.47 μB. The calculated results show that an antiferromagnetic inter-bilayer coupling–ferromagnetic intra-bilayer coupling to a ferromagnetic inter-bilayer coupling–antiferromagnetic intra-bilayer coupling phase transition is produced with the pressure increasing. The magnetic phase transition is simultaneously accompanied by a semiconductor–metal phase transition. The magnetic phase transition can be explained by the Mo–O hybridization strength, and ferromagnetic coupling between two Cr atoms can be understood by empty Mo-d bands perturbing the nearest O-p orbital.展开更多
Experimental and theoretical researches on nanostructured exchange coupled magnets have been carried out since about 1988. Here, we review the structure and magnetic properties of the anisotropic nanocomposite soft/ha...Experimental and theoretical researches on nanostructured exchange coupled magnets have been carried out since about 1988. Here, we review the structure and magnetic properties of the anisotropic nanocomposite soft/hard multilayer magnets including some new results and phenomena from an experimental point of view. According to the different component of the oriented hard phase in the nanocomposite soft/hard multilayer magnets, three types of magnets will be discussed：1） anisotropic Nd2Fe（14）B based nanocomposite multilayer magnets, 2） anisotropic SmCo5 based nanocomposite multilayer magnets, and 3） anisotropic rare-earth free based nanocomposite multilayer magnets. For each of them, the formation of the oriented hard phase, exchange coupling, coercivity mechanism, and magnetic properties of the corresponding anisotropic nanocomposite multilayer magnets are briefly reviewed, and then the prospect of realization of bulk magnets on new results of anisotropic nanocomposite multilayer magnets will be carried out.展开更多
基金Project supported by the Fundamental Research Funds for the Central Universities,China(Grant No.2015XKMS073)
文摘We investigate magnetic ordering and electronic structures of Cr2MoO6under hydrostatic pressure. To overcome the band gap problem, the modified Becke and Johnson exchange potential is used to investigate the electronic structures of Cr2MoO6. The insulating nature at the experimental crystal structure is produced, with a band gap of 1.04 eV, and the magnetic moment of the Cr atom is 2.50 μB, compared to an experimental value of about 2.47 μB. The calculated results show that an antiferromagnetic inter-bilayer coupling–ferromagnetic intra-bilayer coupling to a ferromagnetic inter-bilayer coupling–antiferromagnetic intra-bilayer coupling phase transition is produced with the pressure increasing. The magnetic phase transition is simultaneously accompanied by a semiconductor–metal phase transition. The magnetic phase transition can be explained by the Mo–O hybridization strength, and ferromagnetic coupling between two Cr atoms can be understood by empty Mo-d bands perturbing the nearest O-p orbital.
基金Project supported by the State Key Project of Research and Development of China(Grant No.2017YFA0206302)the National Nature Science Foundation of China(Grant Nos.51590883,51331006,and 51471167)the Chinese Academy of Sciences(Grant No.KJZD-EW-M05-3)
文摘Experimental and theoretical researches on nanostructured exchange coupled magnets have been carried out since about 1988. Here, we review the structure and magnetic properties of the anisotropic nanocomposite soft/hard multilayer magnets including some new results and phenomena from an experimental point of view. According to the different component of the oriented hard phase in the nanocomposite soft/hard multilayer magnets, three types of magnets will be discussed：1） anisotropic Nd2Fe（14）B based nanocomposite multilayer magnets, 2） anisotropic SmCo5 based nanocomposite multilayer magnets, and 3） anisotropic rare-earth free based nanocomposite multilayer magnets. For each of them, the formation of the oriented hard phase, exchange coupling, coercivity mechanism, and magnetic properties of the corresponding anisotropic nanocomposite multilayer magnets are briefly reviewed, and then the prospect of realization of bulk magnets on new results of anisotropic nanocomposite multilayer magnets will be carried out.
