Semiconductor-metal and semiconductor–magnetic half–metal phase transitions in layered SrAgSeF phases doped with oxygen and nitrogen

V. V. Bannikov, A. L. Ivanovskii

Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg

Abstract: Results of ab initio band calculations for a layered nonmagnetic SrAgSeF semiconductors consisting of [SrF]/[AgSe] alternating blocks show that the partial O $\to$ F substitution leads to a semiconductormetal phase transition due to “metallization” of the [AgSe] bocks. The oxygen-doped SrAgSe$_{1-x}$O$_x$ phase possesses a metal/semiconductor periodic structure formed by alternating [AgSe] and [SrF$_{1-x}$O$_x$] blocks, respectively. On the contrary, the partial N $\to$ F substitution induces a semiconductor–magnetic half-metal phase transition. The resulting SrAgSe$_{1-x}$N$_x$ system may be of interest as a new material for spintronics.

Received: 20.07.2012

 English version: Technical Physics Letters, 2012, 38:11, 1037–1039

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