Abstract

In this GGA study, electronic and magnetic properties were investigated with the implementation of the FP-LAPW method within the framework of DFT. Resulting compounds Ag0.125Sr0.875O and Au0.125Sr0.875O were formed by substituting transition metal atoms silver and gold in strontium oxide with 12.5% concentration. Formation energy values show the compounds are stable in the ground state. Volume optimization curves predict the doped compounds are stable in the ferromagnetic phase. Total DOS and band structure plots display half-metallicity at the Fermi level, and also magnetic moment was found in the supercells.

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