Ground State Electronic and Magnetic Properties of LaCrO3 System
First principle calculations are carried out to investigate the ground state electronic and magnetic properties of G-type antiferromagnetic (AFM) LaCrO3 compound in orthorhombic phase. The orthorhombic LaCrO3, a distorted GdFeO3 – type perovskite exhibits AFM transition at ~290 K. Additionally; this system shows weak ferromagnetism at room temperature, in conjugation with its semiconducting properties. In this paper, we will discuss the onset of weak ferromagnetism and electronic properties of LaCrO3, implementing generalized gradient approximation for exchange correlation potential. We present results for electronic structure and density of states, including the effect of onsite Coulomb interaction and non-collinear arrangement of Cr3+ magnetic ions in G-type AFM geometry.
B.S.S. Daniel and G.P. Chaudhari
B. Tiwari et al., "Ground State Electronic and Magnetic Properties of LaCrO3 System", Advanced Materials Research, Vol. 585, pp. 274-278, 2012