Effects of iso- and polyvalent substitutions on the short/long-range crystalline order in CuCrO 2 compounds

Nishant Barot, Prashant K. Mehta, Ashok Rao, Riya Thomas, Yung Kang Kuo

Research output: Contribution to journalArticle

Abstract

Compounds of pristine CuCrO 2 , doped CuCr 0.96 M 0.03 V 0.01 O 2 (M = Ti, Mn, Ga and Nb), CuCr 0.96 V 0.04 O 2 , CuCr 0.97 Mg 0.03 O 2 , CuCr 0.97 Ni 0.03 O 2 and CuCr 1-x Fe x O 2 (x = 0.03, 0.06, and 0.09) were prepared by conventional solid-state route. Rietveld Refinement method using the Fullprof software confirms the single rhombohedral structure with space group R-3m for all the studied samples. It was found that doped ion having a larger ionic radius shows an increase in the unit cell volume for CuCrO 2 , while the unit cell volume decreases or remains nearly unchanged for dopant having a slightly smaller ionic radius. Negligible strain is observed in the pristine, Mn, Ga and Nb doped samples, whereas other dopants show strained growth. It was found that samples with Ti and Fe doping exhibit the maximum strain. Although, no significant changes in the frequencies of Raman active modes A 1g and E g were detected, strong local distortions were observed in the Mn, Ti and Fe doped samples. In addition, the CuCrO 2 compounds doped with V, Ga, Nb, Ti and Mn ions exhibit splitting of IR active E u and A 2u modes.

Original languageEnglish
Pages (from-to)134-143
Number of pages10
JournalJournal of Alloys and Compounds
Volume791
DOIs
Publication statusPublished - 30-06-2019

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Substitution reactions
Doping (additives)
Crystalline materials
Ions
Rietveld refinement

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

Barot, Nishant ; Mehta, Prashant K. ; Rao, Ashok ; Thomas, Riya ; Kuo, Yung Kang. / Effects of iso- and polyvalent substitutions on the short/long-range crystalline order in CuCrO 2 compounds. In: Journal of Alloys and Compounds. 2019 ; Vol. 791. pp. 134-143.
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Effects of iso- and polyvalent substitutions on the short/long-range crystalline order in CuCrO 2 compounds. / Barot, Nishant; Mehta, Prashant K.; Rao, Ashok; Thomas, Riya; Kuo, Yung Kang.

In: Journal of Alloys and Compounds, Vol. 791, 30.06.2019, p. 134-143.

Research output: Contribution to journalArticle

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AU - Kuo, Yung Kang

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AB - Compounds of pristine CuCrO 2 , doped CuCr 0.96 M 0.03 V 0.01 O 2 (M = Ti, Mn, Ga and Nb), CuCr 0.96 V 0.04 O 2 , CuCr 0.97 Mg 0.03 O 2 , CuCr 0.97 Ni 0.03 O 2 and CuCr 1-x Fe x O 2 (x = 0.03, 0.06, and 0.09) were prepared by conventional solid-state route. Rietveld Refinement method using the Fullprof software confirms the single rhombohedral structure with space group R-3m for all the studied samples. It was found that doped ion having a larger ionic radius shows an increase in the unit cell volume for CuCrO 2 , while the unit cell volume decreases or remains nearly unchanged for dopant having a slightly smaller ionic radius. Negligible strain is observed in the pristine, Mn, Ga and Nb doped samples, whereas other dopants show strained growth. It was found that samples with Ti and Fe doping exhibit the maximum strain. Although, no significant changes in the frequencies of Raman active modes A 1g and E g were detected, strong local distortions were observed in the Mn, Ti and Fe doped samples. In addition, the CuCrO 2 compounds doped with V, Ga, Nb, Ti and Mn ions exhibit splitting of IR active E u and A 2u modes.

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