Orbital configuration in CaTiO3 films on NdGaO3
Abstract
Despite its use as a constituent layer for realization of a polar metal and interfacial conductivity, the microscopic study of electronic structure of CaTiO3 is still very limited. Here, we epitaxially stabilized CaTiO3 films on NdGaO3 (110) substrates in a layer-by-layer way by pulsed laser deposition. The structural and electronic properties of the films were characterized by reflection-high-energy-electron-diffraction, X-ray diffraction, and element-specific resonant X-ray absorption spectroscopy. To reveal the orbital polarization and the crystal field splitting of the titanium 3d state, X-ray linear dichroism was carried out on CaTiO3 films, demonstrating the orbital configuration of dxz/dyz < dxy < d3z2−r2 < dx2−y2. To further explore the origin of this configuration, we performed the first-principles density function theory calculations, which linked the orbital occupation to the on-site energy of Ti 3d orbitals. These findings can be important for understanding and designing exotic quantum states in heterostructures based on CaTiO3.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 10, 2016
- Source ID
- 10.1063/1.4964828
Entities
People
- D Meyers
- D. Choudhury
- E. Arenholz
- J. Chakhalian
- M. Kareev
- Padraic Shafer
- Se Young Park
- Srimanta Middey
- Xiaoran Liu
- Yanwei Cao
Organizations
- Army Research Office
- Brookhaven National Laboratory
- Gordon and Betty Moore Foundation
- Indian Institutes of Technology
- Lawrence Berkeley National Laboratory
- Rutgers University
- United States Department of Energy
- University of Arkansas