Orbital configuration in CaTiO3 films on NdGaO3

Yanwei Cao, Se Young Park, Xiaoran Liu, D. Choudhury, S. Middey, D. Meyers, M. Kareev, P. Shafer, E. Arenholz, J. Chakhalian

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

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.

Original languageEnglish (US)
Article number152905
JournalApplied Physics Letters
Volume109
Issue number15
DOIs
StatePublished - Oct 10 2016

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

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