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S. Satpathy

Publications and source records attributed to S. Satpathy.

38 records · Page 3Linked to original sources

Airy-function electron localization in the oxide superlattices

Oxide superlattices and microstructures hold the promise for creating a new class of devices with unprecedented functionalities. Density-functional studies of the recently fabricated superlattices of lattice-matched perovskite titanates (SrTiO3)n/(LaTiO3)m reveal a classic wedge-shaped potential originating from the Coulomb potential of a charged sheet of La atoms. The potential in turn confines the electrons in the vicinity of the sheet, leading to an Airy-function localization of the electron states. Magnetism is suppressed for structures with a single LaTiO3 monolayer, while the bulk antiferromagnetism is recovered in the structures with a thicker LaTiO3, with a narrow transition region separating the magnetic LaTiO3 and the non-magnetic SrTiO3.

cond-mat.mtrl-sci↗

Ferrodistorsive orbital ordering in the layered nickelate NaNiO_2: A density-functional study

The electronic structure and magnetism in the sodium nickelate NaNiO_2 in the low-temperature phase is studied from density-functional calculations using the linear muffin-tin orbitals method. An antiferromagnetic solution with a magnetic moment of 0.7 m_B per Ni ion is found. A ferrodistorsive orbital ordering is shown to occur due to the Jahn-Teller distortion around the Ni^{3+} ion in agreement with the orbital ordering inferred from neutron diffraction. While the intralayer exchange is ferromagnetic, the interlayer exchange is weakly antiferromagnetic, mediated by a long Ni-O-Na-O-Ni superexchange path.

cond-mat.str-el↗