Orbital configuration in CaTiO3 films on NdGaO3

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

doi:10.1063/1.4964828

Title: Orbital configuration in CaTiO₃ films on NdGaO₃

Journal Article · Thu Oct 13 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4964828· OSTI ID:1347292

Cao, Yanwei ^[1]; Park, Se Young ^[2]; Liu, Xiaoran ^[3]; Choudhury, D. ^[4]; Middey, S. ^[3]; Meyers, D. ^[5]; Kareev, M. ^[1];

^[6]; Arenholz, E. ^[6]; Chakhalian, J. ^[1]

Univ. of Arkansas, Fayetteville, AR (United States). Department of Physics; Rutgers Univ., Piscataway, NJ (United States). Department of Physics and Astronomy
Rutgers Univ., Piscataway, NJ (United States). Department of Physics and Astronomy
Univ. of Arkansas, Fayetteville, AR (United States). Department of Physics
Univ. of Arkansas, Fayetteville, AR (United States). Department of Physics; Indian Institute of Technology, Kharagpur (India). Department of Physics
Univ. of Arkansas, Fayetteville, AR (United States). Department of Physics; Brookhaven National Lab. (BNL), Upton, NY (United States). Department of Condensed Matter Physics and Materials Science
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

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 d_xz/d_yz < d_xy < d_3z²-r² < d_x²-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. Finally, these findings can be important for understanding and designing exotic quantum states in heterostructures based on CaTiO₃.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704; SC0012375; AC02-05CH11231; AC02- 05CH11231

OSTI ID:: 1347292

Alternate ID(s):: OSTI ID: 1328811

Report Number(s):: BNL-113595-2017-JA; R&D Project: PO011; KC0201060; TRN: US1701524

Journal Information:: Applied Physics Letters, Vol. 109, Issue 15; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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Title: Orbital configuration in CaTiO₃ films on NdGaO₃