Dy doped BiFeO3 : A Promising Destination in the Quest of a Ceramic with Improved Bulk Multiferroic Properties Compared to Those of Its Corresponding Nanoparticles Sayeed Shafayet Chowdhury,1,2 Abu Hena Mostafa Kamal,2 Mehedi Hasan,3 Md. Fakhrul Islam,3 Bashir Ahmmad,4 and M. A. Basith2,* 1 Department of Electrical and Electronic Engineering, Bangladesh University of Engineering and Technology, Dhaka-1000, Bangladesh. 2 Department of Physics, Bangladesh University of Engineering and Technology, Dhaka-1000, Bangladesh. 3 Department of Glass and Ceramics Engineering, Bangladesh University of Engineering and Technology, Dhaka-1000, Bangladesh. 4 Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Japan. *
[email protected]
Table 1: Rietveld refined structural parameters and phases present (in wt%) obtained from XRD studies of BFO, Dy doped BFO bulk and their corresponding nanoparticles. The errors in estimated parameters are given in parenthesis. Sample
Crystal Structure BFO(R3c) (Rhombohedral) Fract (%): 78.42 (0) Bi2Fe4O9(pbam) (Orthorhombic) Fract(%): 9.47(0)
Lattice Parameters (Å)
Atomic Coordinates
a =b=5.5775(1) c=13.8663(1)
Bi (0,0,0) Fe (0,0,0.31961) O(0.45426,0.02154,0.98443)
a =8.4431(1) b=7.9716(13) c=6.0043(1)
Bi (0.17524, 0.17916, 0) Fe1 (0.5, 0, 0.27910) Fe2 (0.35714, 0.35660,0.5) O1 (0, 0, 0.5) O2(0.27003, 0.73403,-0.34894) O3 (0.83303, 0.72656, 0.5) O4(0.46749, 0.13604, 0.88808)
BiFeO3 BFO(pnma) (Orthorhombic) Fract (%): 5.06(0)
Bi25FeO40 (I23) (Cubic) Fract(%):7.05(0)
a=3.6953(6) b=3.8603(83) c=6.5200(7)
Bi (0.07672, -0.54738, -0.10374) Fe (0.64829, 0.72185, 0.62450) O1 (-0.29397, 0.39633, -0.14315) O2 (0.26305, -0.27487, -0.34784) O3 (0.08274, -0.34590, 0.07061)
a=b= c=10.164580(6)
Bi (0.69420, -0.87266, 0.57740) Bi/Fe (0,0,0) O1(0.10396, 0.10328, 0.29397) O2 (0.69383, -0.50582, 0.22787) O3(0.75608, 0.75608, 0.75608)
R Factors
𝜒2 = 4.47 𝑅𝑝 = 15.8 𝑅𝑤𝑝 = 11.5
BDFO (R3c) (Rhombohedral) Fract (%): 93.98 (0)
BDFO
BDFO1
BDFO2
BDFO3
a =b= 5.5635(8) c=13.8191(74)
Bi/Dy (0, 0, 0) Fe (0, 0, 0.27413) O (0.44926, 0.02336, 0.95314) Bi (0.17066, 0.17261, 0) Fe1 (0.5,0,0.38910) Fe2 (0.32307, 0.34993,0.5) O1 (0, 0, 0.5) O2 (0.15024, 0.51312, -0.14763) O3 (0.40191, -0.12954,0.5) O4 (0.59880, -0.00778, 0.02145) Bi/Dy (0.35314, 0.25000, 0.39968) Fe (0,0,0) O1 (0.27830, 0.25000, 0.61377) O2 (0.33122, 0.54140, 0.20440)
Bi2Fe4O9(pbam) (Orthorhombic) Fract (%): 5.66(0)
a= 8.5460(6) b=7.9577(43) c=6.0108(7)
BDFO (pnma) (Orthorhombic) Fract(%):0.36(0)
a =5.4371(9) b=7.7968(1) c=5.6273(9)
BDFO (R3c) (Rhombohedral) Fract (%): 93.40 (0.36)
a=b=5.5586(7) c=13.8103(18)
Bi/Dy (0, 0, 0) Fe (0, 0, 0.27501) O (0.44875, 0.01255, 0.95078)
Bi2Fe4O9(pbam) (Orthorhombic) Fract(%): 6.60 (0.02)
a = 8.5870(5) b =7.9533(7) c= 5.9846(8)
Bi (0.18223, 0.15756, 0) Fe1 (0.5,0,0.36258) Fe2 (0.33721, 0.34878,0.5) O1 (0, 0, 0.5) O2 (-0.37156, 0.72587, -0.24272) O3 (0.33507, 0.22472, 0.50000) O4 (0.72208, -0.36108, 0.13179)
BDFO (R3c) (Rhombohedral) Fract (%) : 95.86 (0.02)
a =b = 5.5616(12) c=13.8136(23)
Bi/Dy (0, 0, 0) Fe (0, 0, 0.27612) O (0.46424, 0.02870, 0.95083)
a=8.5757(4) b=7.9659(1) c=5.9736(14)
Bi (0.17510, 0.18348,0) Fe1 (0.5,0,0.31970) Fe2 (0.34330, 0.28049,0.5) O1 (0, 0, 0.5) O2 (-0.15310, 0.84309, -0.28088) O3 (0.64680, -0.00088,0.5) O4 (0.21413, -0.87649, -0.03394)
a=b= 5.5613(17) c=13.8149(73)
Bi/Dy (0, 0, 0) Fe (0, 0, 0.27735) O (0.45912, 0.02746, 0.94858)
a=8.5826(14) b=7.9586(42) c=5.9618(7)
Bi (0.18108, 0.17774,0) Fe1 (0.5, 0,0.33548) Fe2 (0.35374, 0.29307,0.5)
Bi2Fe4O9(pbam) (Orthorhombic) Fract (%) : 4.14(0) BDFO (R3c) (Rhombohedral) Fract (%) : 98.69(0.36) Bi2Fe4O9(pbam) (Orthorhombic) Fract (%) :
𝜒 2 = 3.93 𝑅𝑝 = 15.5 𝑅𝑤𝑝 = 11.9
𝜒 2 = 2.70 𝑅𝑝 = 25.9 𝑅𝑤𝑝 = 16.2
𝜒 2 = 2.67 𝑅𝑝 = 26.5 𝑅𝑤𝑝 = 16.6
𝜒 2 = 2.26 𝑅𝑝 = 26.3 𝑅𝑤𝑝 = 15.5
1.31(0)
O1 (0, 0, 0.5) O2 (0.14268, 0.36645, -0.04039) O3 (0.35654, 0.00820, 0.5) O4 (0.63524, -0.03829, 0.13617)
FIG. S1 : Enlarged view of the XRD patterns of the synthesized samples around the (104) and (110) peaks.
FIG. S2 : The EDS spectrum of Bi0.9Dy0.1FeO3 bulk powder sample and amounts of Bi, Fe, Dy and O in the synthesized samples.
FIG. S3: UV-vis diffuse reflectance spectra of BDFO and BDFO2.
