TY - JOUR
T1 - Effects of iso- and polyvalent substitutions on the short/long-range crystalline order in CuCrO
2
compounds
AU - Barot, Nishant
AU - Mehta, Prashant K.
AU - Rao, Ashok
AU - Thomas, Riya
AU - Kuo, Yung Kang
N1 - Publisher Copyright:
© 2019
PY - 2019/6/30
Y1 - 2019/6/30
N2 -
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.
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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U2 - 10.1016/j.jallcom.2019.03.291
DO - 10.1016/j.jallcom.2019.03.291
M3 - Article
AN - SCOPUS:85063275235
SN - 0925-8388
VL - 791
SP - 134
EP - 143
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
ER -