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Electronic and magnetic properties of transition metal (TM) ion-doped monolayer zinc oxide (ML-ZnO) have been analyzed using ab-initio calculations in the frame work of density functional theory. Spin–spin interaction study reveals that Cr, Mn, Fe and Cu doped at Zn site of ML-ZnO show stable ferromagnetic ordering along with the half-metallic behavior for most of the cases. The electronic and magnetic properties of the pristine system can also be modified by using co-doping. 3d orbital electrons of the dopants are primarily responsible for the origin of magnetic moment and the remaining part comes from the 3d and 2p orbital electrons of Zn and O atoms, respectively. Moreover, the magnetic ordering in Fe-doped ML-ZnO can change with the doping distance between the dopants. [ABSTRACT FROM AUTHOR]

Magnetic properties of 3d transition metal ion doped methylammonium lead chloride (MAPbCl3) have been studied by ab-initio calculations in the framework of density functional theory. The study of spin–spin interactions reveals that doping (about 2%) of Ti, V, Cr, Mn and Fe at the Pb site of MAPbCl3 shows stable ferromagnetic ordering along with the half-metallic behaviour. 3d orbital electrons of the dopants are primarily responsible for the origin of the magnetic moment and the remaining part comes from the p-d exchange interaction between the 3d orbital electrons of the dopants and the 6p orbital electrons of Pb in the vicinity of the doping position. Additionally, the band structure calculations suggest that the doped system shows n/p-type semiconducting behaviour. Ferromagnetism, along with semiconducting behaviour in transition metal ion-doped MAPbCl3, will be suitable for spintronic applications. [ABSTRACT FROM AUTHOR]

Dilute magnetic semiconductor (DMS) is a trending research topic in material science for its requirements in spintronics technology in recent times. The present work reports the electrical and magnetic properties of different transition metal ions (Ti, V, Cr, Mn, Fe, Co, Ni and Zn)- doped silver copper sulphide. The dilute doping of transition metal ions at the copper site induces significant magnetic moments, which ordered ferromagnetically. The 3d orbital of the transition metal ions and the d orbital of Cu and Ag ions are the source of magnetisation. [ABSTRACT FROM AUTHOR]

• Ferromagnetism has been observed in organic-inorganic hybrid perovskite system. • Hysteresis loop has been observed experimentally even at room temperature. • Using ab-initio calculation the detailed theoretical analysis has been worked out. • Origin of magnetism is predicted to be the atomic defects like iodine vacancy. The meteoric rise in the photovoltaic performance of organic-inorganic hybrid perovskite is a conspicuous reflection of its defect tolerance nature. The presence of lattice defect in organo lead halide perovskite can manipulate or even gives rise to some exceptional properties which otherwise would have remained unseen. One of such properties reported in this article is the experimental observation of defect mediated room temperature ferromagnetism in methylammonium lead halide perovskite for the very first time, ably supported by ab-initio calculations. Theoretical analysis predicts that the ferromagnetism principally arises from the iodine vacancies in the orthorhombic and cubic crystal phases but not in the tetragonal phase. The low temperature (100 K) ferromagnetic hysteresis loop was stable even at a high temperature of 380 K, substantiating the fact that the origin of magnetism embedded in its defective nature. [ABSTRACT FROM AUTHOR]