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Electronic Structure and Band Alignment of LaMnO3/SrTiO3 Polar/Nonpolar Heterojunctions

Journal Article · · Advanced Materials Interfaces
 [1];  [1];  [1];  [1];  [2];  [3];  [4];  [5];  [1]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Auburn Univ., Auburn, AL (United States)
  4. Univ. of California, Berkeley, CA (United States)
  5. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
+ Show Author Affiliations
The behavior of polar LaMnO3 (LMO) thin films deposited epitaxially on nonpolar SrTiO3(001) (STO) is dictated by both the LMO/STO band alignment and the chemistry of the Mn cation. Using in situ X–ray photoelectron spectroscopy, the valence band offset (VBO) of LMO/STO heterojunctions is directly measured as a function of thickness, and found that the VBO is 2.5 eV for thicker (≥3 u.c.) films. No evidence of a built–in electric field in LMO films of any thickness is found. Measurements of the Mn valence by Mn L–edge X–ray absorption spectroscopy and by spatially resolved electron energy loss spectra in scanning transmission electron microscopy images reveal that Mn2+ is present at the LMO surface, but not at the LMO/STO interface. These results are corroborated by density functional theory simulations that confirm a VBO of ≈2.5 eV for both ideal and intermixed interfaces. As a result, a model is proposed for the behavior of polar/nonpolar LMO/STO heterojunctions in which the polar catastrophe is alleviated by the formation of oxygen vacancies at the LMO surface.
Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Grant/Contract Number:
AC02-05CH11231; AC02-06CH11357; SC0012375
OSTI ID:
1494141
Alternate ID(s):
OSTI ID: 1506987
OSTI ID: 1530317
OSTI ID: 1482745
Journal Information:
Advanced Materials Interfaces, Journal Name: Advanced Materials Interfaces Journal Issue: 1 Vol. 6; ISSN 2196-7350
Publisher:
Wiley-VCHCopyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
LaMnO3
built-in electric field
oxygen vacancies
polar/non-polar heterojunctions