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Title: Influence of cation size on the structural features of Ln{sub 1/2}A{sub 1/2}MnO{sub 3} perovskites at room temperature

Journal Article · · Chemistry of Materials
DOI:https://doi.org/10.1021/cm980397u· OSTI ID:316253
; ;  [1]; ;  [2];  [3];  [4]
  1. Brookhaven National Lab., Upton, NY (United States). Physics Dept.
  2. Indian Inst. of Science, Bangalore (India). Solid State and Structural Chemistry Unit
  3. Univ. of Oslo (Norway). Dept. of Chemistry
  4. Univ. of California, Santa Barbara, CA (United States). Materials Research Lab.

Polycrystalline samples of Ln{sub 1/2}Sr{sub 1/2}MnO{sub 3} (Ln = La, Pr, La{sub 0.33}Nd{sub 0.67}, Nd, Nd{sub 0.5}Sm{sub 0.5}, Sm, and Gd) and Ln{sub 1/2}Ca{sub 1/2}MnO{sub 3} (Ln = La, Pr, La{sub 0.5}Nd{sub 0.5}, Nd, Sm, and Y{sub 0.5}Sm{sub 0.5}) have been prepared, and structure determinations have been carried out at room temperature using high-resolution synchrotron X-ray powder diffraction data. The octahedral tilting distortion increases as the average ionic radius of the Ln/.A cations, (r{sub A}), decreases. The two crystallographically distinct Mn-O-Mn bonds are almost identical for Ln{sub 0.5}Ca{sub 0.5}MnO{sub 3} compounds, with the exception of La{sub 0.5}Ca{sub 0.5}MnO{sub 3}. All of the Ln{sub 0.5}Ca{sub 0.5}MnO{sub 3} compounds have Pnma symmetry, whereas across the Ln{sub 0.5}Sr{sub 0.5}MnO{sub 3} series with increasing (r{sub A}), an evolution from Pnma over Imma to I4/mcm symmetry is observed. Changes in the octahedral tilt system at room temperature are linked to changes in the low-temperature magnetic structure. In particular, the simultaneous onset of charge ordering and CE-type antiferromagnetism in the Ln{sub 0.5}Sr{sub 0.5}MnO{sub 3} series appears to be closely associated with the Imma structure. The average Mn-O bond distance is relatively constant across the entire series, but individual Mn-O bond distances show the presence of a cooperative Jahn-Teller effect (orbital ordering) at room temperature in Sm{sub 0.5}Ca{sub 0.5}MnO{sub 3} and Sm{sub 0.25}Y{sub 0.25}Ca{sub 0.5}MnO{sub 3}.

Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE, Washington, DC (United States)
DOE Contract Number:
AC02-98CH10886
OSTI ID:
316253
Journal Information:
Chemistry of Materials, Vol. 10, Issue 11; Other Information: PBD: Nov 1998
Country of Publication:
United States
Language:
English