Ground state, electronic structure and magnetism of LaMnO3

Electronic structure and magnetism of Fe1ÀxPdx alloys

An ab initio linearized augmented plane-wave method has been employed to calculate the electronic and magnetic structures of both face-centered-cubic and body-centered-cubic Fe12xPdx alloys with x50.25, 0.50, and 0.75, respectively. Decreasing the Pd content in Fe12xPdx alloy from x51, the magnetic ordering of fcc Fe12xPdx changes from paramagnetism to ferromagnetism, ferrimagnetism, and finall...

Photoemission, electronic structure, and magnetism in VPd3.

Spin and orbital Ti magnetism at LaMnO3/SrTiO3 interfaces.

In systems with strong electron-lattice coupling, such as manganites, orbital degeneracy is lifted, causing a null expectation value of the orbital magnetic moment. Magnetic structure is thus determined by spin-spin superexchange. In titanates, however, with much smaller Jahn-Teller distortions, orbital degeneracy might allow non-zero values of the orbital magnetic moment, and novel forms of fe...

Electronic structure and magnetism of disordered bcc Fe alloys

We here study electronic structure and magnetic properties of disordered bcc CoxFe1−x, CrxFe1−x and MnxFe1−x alloys in their ferromagnetic phases using Augmented Space Recursion (ASR) technique coupled with tight-binding linearized muffin tin orbital (TB-LMTO) method. We calculate the densities of states, magnetic moments and Curie temperatures of these alloys to show the variation upon alloyin...

0 Electronic Structure and Magnetism of Equiatomic FeN

In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations are calculated using the first-principle TB-LMTO-ASA method. Among all the FeN phases considered, the antiferro-magnetic (AFM) NaCl structure with q = (0, 0...