Reducing orbital occupancy in VO2 suppresses Mott physics while Peierls distortions persist

Quackenbush, Nicholas F.; Paik, Hanjong; Holtz, Megan E.; Wahila, Matthew J.; Moyer, Jarrett A.; Barthel, Stefan; Wehling, Tim O.; Arena, Dario A.; Woicik, Joseph C.; Muller, David A.; Schlom, Darrell G.; Piper, Louis J.

doi:10.1103/physrevb.96.081103

Title: Reducing orbital occupancy in VO 2 suppresses Mott physics while Peierls distortions persist

Journal Article · Tue Aug 08 00:00:00 EDT 2017 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.96.081103· OSTI ID:1535986

Quackenbush, Nicholas F. ^[1]; Paik, Hanjong ^[2]; Holtz, Megan E. ^[3]; Wahila, Matthew J. ^[4]; Moyer, Jarrett A. ^[5]; Barthel, Stefan ^[6]; Wehling, Tim O. ^[6]; Arena, Dario A. ^[7]; Woicik, Joseph C. ^[8]; Muller, David A. ^[3]; Schlom, Darrell G.; Piper, Louis J. ^[4]

Binghamton University, NY (United States); National Institute of Standards and Technology (NIST), Gaithersburg, MD (United States)
Cornell University, Ithaca, NY (United States)
Cornell University, Ithaca, NY (United States); Cornell University, Ithaca, NY (United States). Kavli Institute for Nanoscale Science
Binghamton University, NY (United States)
University of Illinois at Urbana-Champaign, IL (United States)
University of Bremen (Germany)
University of South Florida, Tampa, FL (United States)
National Institute of Standards and Technology (NIST), Gaithersburg, MD (United States)

The characteristics of the cooperative Mott-Peierls metal-insulator transition (MIT) of VO₂ can be altered by employing epitaxial strain. While the most commonly used substrate for this purpose is isostructural rutile TiO₂, thin films often suffer from interdiffusion of Ti ions near the interface. Exploiting this phenomena, we investigate the nature of interfacial V⁴⁺/Ti⁴⁺ cation intermixing and its effects on the MIT using scanning transmission electron microscopy with electron energy loss spectroscopy (STEM-EELS), soft x-ray absorption spectroscopy (XAS), and hard x-ray photoelectron spectroscopy (HAXPES), along with supporting density functional theory (DFT) calculations. We find that the reduced orbital occupancy in highly Ti incorporated VO₂ is responsible for suppressing the MIT. Interdiffused films are found to be metallic at all measured temperatures, despite a resolute dimerization inferred from x-ray absorption data at lower temperatures. Here our results demonstrate that the Mott physics can be suppressed in doped VO₂, while a lattice dimerization remains thermodynamically favorable.

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Research Organization:: Cornell Univ., Ithaca, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); National Science Foundation (NSF); USDOE

Grant/Contract Number:: SC0002334; AC02-05CH11231; AC02-98CH10886; DMR 1409912; DMR-1120296

OSTI ID:: 1535986

Alternate ID(s):: OSTI ID: 1374451

Journal Information:: Physical Review. B, Vol. 96, Issue 8; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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Title: Reducing orbital occupancy in VO 2 suppresses Mott physics while Peierls distortions persist

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