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Hybrid improper ferroelectricity (HIF) has been proposed as a candidate approach to create room- temperature multiferroic materials with an intrinsic electric-field controlled magnetism effect, and HIFs in bi-layered Ruddlesden-Popper Ca3-xSrxTi2O7 ceramics have been confirmed in the present work. The ferroelectric hysteresis loops are observed in these ceramics at room temperature, and the polar orthorhombic structures with oxygen octahedral rotation and tilt modes have been confirmed by room-temperature X-ray powder diffraction. The amplitudes of oxygen octahedral rotation and tilt modes decrease with the increasing x value, which in turn leads to the decrease of remnant polarization in these ceramics. A first-order phase transition has been evidenced by the differential scanning calorimetry measurement, and the temperature of phase transition decreases linearly with the increasing content of strontium cations. It is found that the amplitude of oxygen octahedral distortion is the dominating factor that affects ferroelectric polarization in partial-ordered bi-layered Ca3Ti2O7-based ceramics. [ABSTRACT FROM AUTHOR]

The structure and magnetic properties in doped Heusler alloys of Mn2CoGa and Mn2CoAl have been investigated by experiments and calculations. The main group elements of Ga or Al in the systems are substituted by the magnetic or non-magnetic transition metals, Co, Cu, V, and Ti. Three kinds of local ferromagnetic structures, Co-Mn-Co, Mn-Co-Mn, and Mn-Co-V, have been found. They embed in the native ferrimagnetic matrix and increase the magnetization with different increments. The Co-Mn-Co ferromagnetic structure shows the largest increment of 6.18μB/atom. In addition, interesting results for non-magnetic Cu increasing the magnetization and the V atom having a large ferromagnetic moment of about 1.0μB have been obtained. The exchange interaction energy can be increased by the newly added Co and depleted by supporting a ferromagnetic coupling in other substitution cases and showing the variation of the TC. Our calculation of electronic structure verifies the strong d-d hybridization when the three ferromagnetic structures are achieved. It has also been found that the covalent bonding from the Ga and Al determines the generation of the local ferromagnetic structure and the tolerance for dopant content. [ABSTRACT FROM AUTHOR]

The structure, magnetism, magnetic compensation behavior, exchange interaction, and electronic structures of Co50-xMn25Ga25+x and Co50-xMn25+xGa25 (x = 0-25) alloys have been systematically investigated by both experiments and first-principles calculations. We found that all the samples exhibited body centered cubic structures with high degree of atomic ordering. With increasing Ga content, the composition dependence of lattice parameter shows a kink point at the middle composition in Co50-xMn25Ga25+x alloys, which can be attributed to the enhanced covalent hybridization between the main-group Ga and the transition-metal atoms. Moreover, a complicated magnetic competition has been revealed in Co50-xMn25Ga25+x alloys, which causes the Curie temperature dramatically decrease and results in a magnetic moment compensation behavior. In Co50-xMn25+xGa25 alloys, however, with increasing Mn content, an additional ferrimagnetic configuration is established in the native ferromagnetic matrix, which causes the molecular moment monotonously decrease and the exchange interaction enhance gradually. The electronic structure calculations indicate that the Co50-xMn25+xGa25 alloys are likely to be in a coexistence state of the itinerant and localized magnetism. Our study will be helpful to understand the nature of magnetic ordering as well as to tune magnetic compensation and electronic properties of Heusler alloys. [ABSTRACT FROM AUTHOR]