Antiferromagnetic ground state of bcc chromium
- 1 August 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 46 (5) , 3171-3174
- https://doi.org/10.1103/physrevb.46.3171
Abstract
First-principles total-energy calculations with the local spin-density approximation for a four-atom magnetic cell show that chromium is not antiferromagnetic (AF) at the calculated zero-pressure equilibrium volume, but is on the verge of a second-order transition to an AF state. An AF spin-density wave in a large magnetic cell of appropriate size could then induce the AF state by lowering the energies of states near the Fermi surface. Confirmation of this induced AF state comes from comparisons of the calculated nonmagnetic and AF bulk moduli, the smaller AF value being in much better agreement with experiment.This publication has 11 references indexed in Scilit:
- Antiferromagnetism in 3dtransition metalsPhysical Review B, 1990
- Non-Hermitian quantum dynamicsPhysical Review A, 1990
- Magnetovolume instabilities and ferromagnetism versus antiferromagnetism in bulk fcc iron and manganesePhysical Review B, 1989
- Spin-density-wave antiferromagnetism in chromiumReviews of Modern Physics, 1988
- Elastic constants of antiferromagnetic chromiumJournal of Physics F: Metal Physics, 1987
- Singular Volume Dependence of Transition-Metal MagnetismPhysical Review Letters, 1986
- The electronic structure of antiferromagnetic chromiumJournal of Physics F: Metal Physics, 1981
- Spin-density functional calculations for chromiumJournal of Magnetism and Magnetic Materials, 1980
- Neutron-Diffraction Study of Dilute Chromium Alloys with IronPhysical Review B, 1967
- Spin Density Waves in an Electron GasPhysical Review B, 1962