First-principles calculations have been performed for the study of the electronic band structure and ferromagnetic properties of double perovskite Ca2CrSbO6. The density of states, total energy, spin magnetic moment, ...First-principles calculations have been performed for the study of the electronic band structure and ferromagnetic properties of double perovskite Ca2CrSbO6. The density of states, total energy, spin magnetic moment, and charge density were calculated and analyzed in details. It is found that Ca2CrSbO6 has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 2.99#B. The chromium contributes the most in the total magnetic moments. The results indicate that Ca2CrSbO6 is half-metallic.展开更多
Using self-flux method,we have successfully grown the parent phase of the single crystals of CaFeAsF1-x.The X-ray di?raction indicates good crystallinity.In-plane resistivity shows a bad metallic behavior with a sharp...Using self-flux method,we have successfully grown the parent phase of the single crystals of CaFeAsF1-x.The X-ray di?raction indicates good crystallinity.In-plane resistivity shows a bad metallic behavior with a sharp drop of resistivity at about T SDW=119K.This anomaly is associated with the possible spin density wave(SDW)order.Interestingly near T SDW,the resistivity exhibits a cusp-like feature,which may be understood as the strong coupling effect between the electrons and the antiferromagnetic(AF)spin fluctuations.A reduction of fluorine or application of a high pressure will suppress the SDW feature and induce superconductivity.Hall effect measurements reveal a positive Hall coefficient below T SDW indicating a dominant role of the hole-like charge carriers in the parent phase.Strong magnetoresistance has been observed below T SDW suggesting multiple conduction channels of the charge carriers.展开更多
基金Supported by the Natural Science Foundation of China under Grant Nos. 10774053 and 2006CB921605
文摘First-principles calculations have been performed for the study of the electronic band structure and ferromagnetic properties of double perovskite Ca2CrSbO6. The density of states, total energy, spin magnetic moment, and charge density were calculated and analyzed in details. It is found that Ca2CrSbO6 has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 2.99#B. The chromium contributes the most in the total magnetic moments. The results indicate that Ca2CrSbO6 is half-metallic.
基金supported by the National Basic Research Program of China(Grant Nos.2011CBA00102,2010CB923002 and 2012CB821403)the National Natural Science Foundation of China and a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘Using self-flux method,we have successfully grown the parent phase of the single crystals of CaFeAsF1-x.The X-ray di?raction indicates good crystallinity.In-plane resistivity shows a bad metallic behavior with a sharp drop of resistivity at about T SDW=119K.This anomaly is associated with the possible spin density wave(SDW)order.Interestingly near T SDW,the resistivity exhibits a cusp-like feature,which may be understood as the strong coupling effect between the electrons and the antiferromagnetic(AF)spin fluctuations.A reduction of fluorine or application of a high pressure will suppress the SDW feature and induce superconductivity.Hall effect measurements reveal a positive Hall coefficient below T SDW indicating a dominant role of the hole-like charge carriers in the parent phase.Strong magnetoresistance has been observed below T SDW suggesting multiple conduction channels of the charge carriers.
