Magnetism and electronic structure in ZnFe[sub 2]O[sub 4] and MnFe[sub 2]O[sub 4]

Electronic structure of FePO 4 , LiFePO 4 , and related materials

The electronic structures of FePO4 and LiMPO4, where M5Mn, Fe, Co, and Ni, are studied within the framework of density-functional theory. These materials have interesting magnetic properties and have promising technological interest as cathode materials in rechargeable batteries. A comparison of results for various spin configurations suggests that the ferromagnetic configuration, while not see...

Photoemission, electronic structure, and magnetism in VPd3.

Electronic structure and magnetism of Fe1ÀxPdx alloys

An ab initio linearized augmented plane-wave method has been employed to calculate the electronic and magnetic structures of both face-centered-cubic and body-centered-cubic Fe12xPdx alloys with x50.25, 0.50, and 0.75, respectively. Decreasing the Pd content in Fe12xPdx alloy from x51, the magnetic ordering of fcc Fe12xPdx changes from paramagnetism to ferromagnetism, ferrimagnetism, and finall...

Electronic structure and fragmentation properties of [ Fe 4 S 4 ( SEt ) 4 − x ( SSEt ) x ] 2 −

A limited exposure of (n-Bu4N)2[Fe4S4(SEt)4] solutions in acetonitrile to air was found to produce a new series of [4Fe–4S] cluster complexes, Fe4S4(SEt)4−x(SSEt)x]2− (x= 1–4), with the original –SEt ligands substituted by –SSEt di-sulfide ligands, which were formed due to partial ecomposition of the [4Fe–4S] core in parent [Fe4S4(SEt)4]2−. The products were first observed in the experiments wi...

Synthesis and crystal structure of Schiff-base compound (E)-4-methoxy-N- (4-hydroxybenzylidene) aniline

New Schiff-base compound (E)-4-methoxy-N-(4-hydroxybenzylidene) aniline has been synthesized from the reaction of 4-hydroxybenzaldehyde with 4-methoxyaniline in methanol at 50ºC, and has been characterized by using elemental analysis and FT-IR spectroscopy. The crystal structure of the title compound has been determined by single crystal X-ray diffraction study. The title compound crystallizes ...