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- W1520681162 abstract "We propose a new scenario for the magnetic collapse under pressure in ferropericlase (FP) (Fe(1/4)Mg(3/4))O without the presence of intermediate spin state, which contradicts the mechanism proposed in (2013 Phys. Rev. B 87 165113). This scenario is supported by results of combined local density approximation + dynamical mean-field theory method calculations for the paramagnetic phase at ambient and high pressures. At ambient pressure, calculation gave (Fe(1/4)Mg(3/4))O as an insulator with Fe 3d-shell in high-spin state. Experimentally observed high-spin to low-spin state transition of the Fe(2+) ion in the pressure range of 35-75 GPa is successfully reproduced in our calculations. The spin crossover is characterized by coexistence of Fe(2+) ions in high and low spin state but intermediate spin state is absent in the whole pressure range. Moreover, the probability of Fe ion d(7) onfiguration with S = 1 grows with pressure due to shortening of metal-oxygen distance. Also, no metal-insulator transition was obtained up to the pressure 140 GPa in agreement with experiment." @default.
- W1520681162 created "2016-06-24" @default.
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- W1520681162 date "2015-06-18" @default.
- W1520681162 modified "2023-09-24" @default.
- W1520681162 title "Mechanism of magnetic moment collapse under pressure in ferropericlase" @default.
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- W1520681162 doi "https://doi.org/10.1088/0953-8984/27/27/275501" @default.
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