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Electronic structure and small-hole polarons in YTiO3

Journal Article · · Physical Review Materials
 [1];  [2];  [3];  [3];  [4];  [4];  [5];  [6];  [7];  [4];  [3];  [3];  [4]
  1. Univ. of Minnesota, Minneapolis, MN (United States); OSTI
  2. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
  3. Univ. of Delaware, Newark, DE (United States)
  4. Univ. of Minnesota, Minneapolis, MN (United States)
  5. Univ. of Minnesota, Minneapolis, MN (United States); SR University, Telangana (India)
  6. Synchrotron SOLEIL, Gif sur Yvette (France)
  7. Harwell Science and Innovation Campus, Didcot (United Kingdom)
+ Show Author Affiliations
As a prototypical Mott insulator with ferromagnetic ordering, YTiO3 (YTO) is of great interest in the study of strong electron correlation effects and orbital ordering. Here we report the first molecular beam epitaxy (MBE) growth of YTO films, combined with theoretical and experimental characterizations of the electronic structure and charge transport properties. The obstacles of YTO MBE growth are discussed and potential routes to overcome them are proposed. DC transport and Seebeck measurements on thin films and bulk single crystals identify p-type Arrhenius transport behavior with an activation energy of ~0.17 eV in thin films, consistent with the energy barrier for small hole polaron migration from hybrid density functional theory calculations. Hard x-ray photoelectron spectroscopy measurements show the lower Hubbard band at 1.1 eV below the Fermi level, whereas a Mott-Hubbard band gap of ~1.5 eV is determined from photoluminescence measurements. These findings provide critical insight into the electronic band structure of YTO and related materials.
Research Organization:
Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE Office of Science (SC)
Grant/Contract Number:
SC0016371
OSTI ID:
1852207
Journal Information:
Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 11 Vol. 4; ISSN 2475-9953
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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  • Jalan, Bharat; Engel-Herbert, Roman; Wright, Nicholas J.
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 27, Issue 3 https://doi.org/10.1116/1.3106610
journal May 2009
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Related Subjects

36 MATERIALS SCIENCE
defects
density of states
electrical conductivity
electronic structure
growth
materials science
polarons