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Title: Local structural distortion and electrical transport properties of Bi(Ni 1/2Ti 1/2)O 3 perovskite under high pressure

Perovskite-structure materials generally exhibit local structural distortions that are distinct from long-range, average crystal structure. The characterization of such distortion is critical to understanding the structural and physical properties of materials. In this work, we combined Pair Distribution Function (PDF) technique with Raman spectroscopy and electrical resistivity measurement to study Bi(Ni 1/2Ti 1/2)O 3 perovskite under high pressure. PDF analysis reveals strong local structural distortion at ambient conditions. As pressure increases, the local structure distortions are substantially suppressed and eventually vanish around 4 GPa, leading to concurrent changes in the electronic band structure and anomalies in the electrical resistivity. We find, consistent with PDF analysis, Raman spectroscopy data suggest that the local structure changes to a higher ordered state at pressures above 4 GPa.
 [1] ;  [2] ;  [3] ;  [3] ;  [2] ;  [4] ;  [5] ;  [6]
  1. Univ. of Nevada, Las Vegas, NV (United States)
  2. Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China); Carnegie Institution of Washington, Argonne, IL (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Stony Brook Univ., Stony Brook, NY (United States)
  5. Institute of Physics, CAS, Beijing (China)
  6. Univ. of Nevada, Las Vegas, NV (United States); Institute of Physics, CAS, Beijing (China)
Publication Date:
Grant/Contract Number:
NA0001982; EAR 11-57758; FG02-99ER45775
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Nature Publishing Group
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; phase transitions and critical phenomena; structural materials; phase transition and critical phenomena
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1332362