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New half-metallic magnetic materials and ferromagnetic spin gapless semiconductors have been designed by substituting the transition metal atoms for Pb atoms in methylammonium lead iodide, MAPbI3 (MA = CH3NH3 +).… Click to show full abstract
New half-metallic magnetic materials and ferromagnetic spin gapless semiconductors have been designed by substituting the transition metal atoms for Pb atoms in methylammonium lead iodide, MAPbI3 (MA = CH3NH3 +). MAScI3, MATiI3, MACrI3, MAFeI3, and MANiI3 are predicted to be half-metallic ferromagnets, MAVI3 and MAMnI3 are ferromagnetic semiconductors, and MACoI3 is a spin gapless semiconductor. The physical properties of methylammonium transition metal triiodides may vary with strain. The high-spin polarization makes the methylammonium transition metal triiodides promising candidates for spintronics applications.
Journal Title: Applied Physics Express
Year Published: 2017
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