title: Electronic structure and magnetism of EuTiO(3): a first-principles study.
abstract: Density-functional theory calculations were carried out for the multiferroic EuTiO(3) using the LDA+U  approach. Total-energy calculations for ferromagnetic (F), and antiferromagnetic A-, C-, and G-type arrangements in the cubic phase shows that the ground-state magnetic configuration is G-type antiferromagnetic for U≤6 eV and ferromagnetic for U≥7 eV. Values of first- and second-neighbour exchange integrals have been calculated by mapping the energy difference between the different magnetic configurations to a Heisenberg Hamiltonian. The system seems to be critically balanced between ferromagnetic and antiferromagnetic states for realistic values of U, and switches from antiferromagnetic to a ferromagnetic ground state on hydrostatic expansion of volume.
authors: School of Materials Science and Technology, Institute of Technology, Banaras Hindu University, Varanasi-221005, India. Department fur Geo- und Umweltwissenschaften, Sektion Kristallographie, Ludwig Maximilians Universität, Theresienstrasse 41, 80333 München, Germany.
authors: Rajeev
authors: R
authors: Ranjan
authors: Hasan
authors: H
authors: Sadat Nabi
authors: Rossitza
authors: R
authors: Pentcheva