Effect of Cr and Mn ions on the structure and magnetic properties of GaFeO3: Role of the substitution site
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作者:
Saha, Rana
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机构:Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
Saha, Rana
Shireen, Ajmala
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机构:Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
Shireen, Ajmala
Shirodkar, Sharmila N.
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机构:Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
Shirodkar, Sharmila N.
Waghmare, Umesh V.
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机构:Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
Waghmare, Umesh V.
Sundaresan, A.
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机构:Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
Sundaresan, A.
Rao, C. N. R.
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Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, IndiaJawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
Rao, C. N. R.
[1
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机构:
[1] Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India
GaFeO3;
Magnetic properties;
Site-specificity;
DFT calculations;
IRON-OXIDE;
CRYSTAL;
FEALO3;
D O I:
10.1016/j.jssc.2011.07.006
中图分类号:
O61 [无机化学];
学科分类号:
070301 ;
081704 ;
摘要:
Effect of substitution of Cr and Mn in the Fe and Ga sites of GaFeO3 on the structural parameters and magnetic properties has been investigated by preparing GaFe1-xCrx(Mn-x)O-3 and Ga1-xCrx(Mn-x)FeO3 starting with appropriate oxide precursors. It is shown that, starting with Cr or Mn substituted Ga2O3, one obtains Ga1-xCrx(Mn-x)FeO3, while reaction of Cr or Mn substituted alpha-Fe2O3 with Ga2O3 yields GaFe1-xCrx(Mn-x)O-3. The structural parameters and magnetic properties vary significantly with the substitution site of Cr showing a large decrease in the unit cell parameters as well as the T-C and other magnetic properties when the substitution is at the octahedral Fe (1, 2) site. Substitution of Cr at the octahedral Ga2 site results in marginal changes. Substitution of Mn in the Ga and Fe sites also show differences although the changes themselves are much smaller. First-principles calculations confirm such site-specificity and show how Cr substitution affects the properties differently when substituted at the Ga2 and Fe1 sites. (C) 2011 Elsevier Inc. All rights reserved.
机构:
Adv Technol & New Mat Inst ATNMI, Elect Mat Dept, City Sci Res & Technol Applicat SRTA City, Alexandria, EgyptAdv Technol & New Mat Inst ATNMI, Elect Mat Dept, City Sci Res & Technol Applicat SRTA City, Alexandria, Egypt
Khalil, Huda F.
Gad, Sara
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Adv Technol & New Mat Inst ATNMI, Elect Mat Dept, City Sci Res & Technol Applicat SRTA City, Alexandria, EgyptAdv Technol & New Mat Inst ATNMI, Elect Mat Dept, City Sci Res & Technol Applicat SRTA City, Alexandria, Egypt
Gad, Sara
Fakhry, Fatma
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机构:
Tanta Univ, Fac Sci, Phys Dept, Tanta, EgyptAdv Technol & New Mat Inst ATNMI, Elect Mat Dept, City Sci Res & Technol Applicat SRTA City, Alexandria, Egypt
Fakhry, Fatma
Elsharkawy, Sherif G.
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机构:
AASTMT, Basic & Appl Sci, Coll Engn & Technol, Alexandria, EgyptAdv Technol & New Mat Inst ATNMI, Elect Mat Dept, City Sci Res & Technol Applicat SRTA City, Alexandria, Egypt
机构:
China Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Korea Inst Mat Sci, Powders & Ceram Div, Chang Won 51508, South KoreaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Wang, Xin-You
Si, Ping-Zhan
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机构:
China Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Korea Inst Mat Sci, Powders & Ceram Div, Chang Won 51508, South KoreaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Si, Ping-Zhan
Qian, Hui-Dong
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Korea Inst Mat Sci, Powders & Ceram Div, Chang Won 51508, South KoreaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Qian, Hui-Dong
Yang, Yang
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Korea Inst Mat Sci, Powders & Ceram Div, Chang Won 51508, South KoreaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Yang, Yang
Ge, Hong-Liang
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机构:
China Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R ChinaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Ge, Hong-Liang
Park, Jihoon
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机构:
Korea Inst Mat Sci, Powders & Ceram Div, Chang Won 51508, South KoreaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Park, Jihoon
Wang, Xin-Qing
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机构:
China Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R ChinaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
Wang, Xin-Qing
Choi, Chul-Jin
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Korea Inst Mat Sci, Powders & Ceram Div, Chang Won 51508, South KoreaChina Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
机构:
Tsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Qi, XW
Zhou, J
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Tsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Zhou, J
Yue, ZX
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Tsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Yue, ZX
Gui, ZL
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Tsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Gui, ZL
Li, LT
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Tsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsing Hua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
机构:
Indira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, IndiaIndira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, India
Lakshmi, LS
Sridharan, V
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机构:
Indira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, IndiaIndira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, India
Sridharan, V
Natarajan, DV
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Indira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, IndiaIndira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, India
Natarajan, DV
Sastry, VS
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机构:
Indira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, IndiaIndira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, India
Sastry, VS
Radhakrishnan, TS
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机构:
Indira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, IndiaIndira Gandhi Ctr Atom Res, Div Mat Sci, Kalpakkam 603102, Tamil Nadu, India
Radhakrishnan, TS
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