First-principles study of structural,electronic, and magnetic properties of Mn4XGe3 （X = Fe,Co,Ni）

In order to search for promising candidates for spintronic applications, this paper systematically studies three ternary compounds based on Mn5Ce3 by using a full-potential linearized augmented plane wave method within the density functional theory. Through structure optimization and electronic structure calculations, it finds that Mn4FeCe3 and MnaCoCe3 have much higher spin-polarization than original intermetallic compound Mn5Ce3, although the spin polarization of MnaNiCe3 is lower than that of Mn5Ce3. The calculated result is in agreement with experiment in the case of Mn4FeCe3. Both of them can be taken as promising candidates for spintronics applications because of their high spin-polarization and compatibility with semiconductors.

First-principles study of structural, electronic, andmagnetic properties of Mn4XGe3 (X =Fe,Co,Ni)

In order to search for promising candidates for spintronicapplications, this paper systematically studies three ternarycompounds based on Mn₅Ge₃ by using a full-potentiallinearized augmented plane wave method within the density functionaltheory. Through structure optimization and electronic structurecalculations, it finds that Mn₄FeGe₃ andMn₄CoGe₃ have much higher spin-polarization than originalintermetallic compound Mn₅Ge₃, although the spinpolarization of Mn₄NiGe₃ is lower than that ofMnspin-polarization,spin-injection, diluted magnetic semiconductorsProject supportedby the National Natural Science Foundation of China (Grant Nos10774180, 90406010 and 60621091) and Chinese Department of Scienceand Technology under National Basic Research Program (973) (Grant No2005CB623602).6185, 7115A, 7120C, 0155In order to search for promising candidates for spintronicapplications, this paper systematically studies three ternarycompounds based on Mn₅Ge₃ by using a full-potentiallinearized augmented plane wave method within the density functionaltheory. Through structure optimization and electronic structurecalculations, it finds that Mn₄FeGe₃ andMn₄CoGe₃ have much higher spin-polarization than originalintermetallic compound Mn₅Ge₃, although the spinpolarization of Mn₄NiGe₃ is lower than that ofMnspin-polarization,spin-injection, diluted magnetic semiconductorsProject supportedby the National Natural Science Foundation of China (Grant Nos10774180, 90406010 and 60621091) and Chinese Department of Scienceand Technology under National Basic Research Program (973) (Grant No2005CB623602).6185, 7115A, 7120C, 0155In order to search for promising candidates for spintronicapplications, this paper systematically studies three ternarycompounds based on Mn₅Ge₃ by using a full-potentiallinearized augmented plane wave method within the density functionaltheory. Through structure optimization and electronic structurecalculations, it finds that Mn₄FeGe₃ andMn₄CoGe₃ have much higher spin-polarization than originalintermetallic compound Mn₅Ge₃, although the spinpolarization of Mn₄NiGe₃ is lower than that ofMnspin-polarization,spin-injection, diluted magnetic semiconductorsProject supportedby the National Natural Science Foundation of China (Grant Nos10774180, 90406010 and 60621091) and Chinese Department of Scienceand Technology under National Basic Research Program (973) (Grant No2005CB623602).6185, 7115A, 7120C, 0155In order to search for promising candidates for spintronicapplications, this paper systematically studies three ternarycompounds based on Mn₅Ge₃ by using a full-potentiallinearized augmented plane wave method within the density functionaltheory. Through structure optimization and electronic structurecalculations, it finds that Mn₄FeGe₃ andMn₄CoGe₃ have much higher spin-polarization than originalintermetallic compound Mn₅Ge₃, although the spinpolarization of Mn₄NiGe₃ is lower than that ofMnspin-polarization,spin-injection, diluted magnetic semiconductorsProject supportedby the National Natural Science Foundation of China (Grant Nos10774180, 90406010 and 60621091) and Chinese Department of Scienceand Technology under National Basic Research Program (973) (Grant No2005CB623602).6185, 7115A, 7120C, 0155In order to search for promising candidates for spintronicapplications, this paper systematically studies three ternarycompounds based on Mn₅Ge₃ by using a full-potentiallinearized augmented plane wave method within the density functionaltheory. Through structure optimization and electronic structurecalculations, it finds that Mn₄FeGe₃ andMn₄CoGe₃ have much higher spin-polarization than originalintermetallic compound Mn₅Ge₃, although the spinpolarization of Mn₄NiGe₃ is lower than that ofMn$_{5}$Ge₃. The calculated result is in agreement withexperiment in the case of Mn₄FeGe₃. Both of them can betaken as promising candidates for spintronics applications becauseof their high spin-polarization and compatibility withsemiconductors.