Pressure dependence of magnetic properties of CrO2 from theory
Language
en
Article de revue
This item was published in
Chemical Physics Letters. 2005, vol. 407, n° 4-6, p. 516-521
Elsevier
English Abstract
From self-consistent electronic structure calculations bulkmodulus of CrO2 (270 GPa) is within agreement of experimental value 280 ± 20 GPa. At different simulated isotropic compressions the system remains half metallic ...Read more >
From self-consistent electronic structure calculations bulkmodulus of CrO2 (270 GPa) is within agreement of experimental value 280 ± 20 GPa. At different simulated isotropic compressions the system remains half metallic for 1 < P < 60 GPa then becomes metallic with lowered magnetization for 60 < P < 120 GPa. This is accompanied by decreasing energy difference between the ferromagnetic ground state and an antiferromagnetic configuration so that both are accessible at high pressures. Spin fluctuation theory analysis points to critical pressure for magnetic order disappearance PC = 150 GPa and dTC/dP = −0.027 K GPa−1. This positions CrO2 between soft (Invar) and very hard (fcc–Ni) magnetic systems pointing to its magnetic hardness.Read less <
English Keywords
High pressure
Magnetic properites
CrO2
Chrome oxide
Electronic structure calculation
Origin
Hal imported