Structure and magnetic properties of the Al1-xGaxFeO3 family of oxides: A combined experimental and theoretical study

被引：44

作者：

Saha, Rana ^{[1
,2
]}

Shireen, Ajmala ^{[1
,2
]}

Bera, A. K. ^{[3
]}

Shirodkar, Sharmila N. ^{[1
,2
]}

Sundarayya, Y. ^{[1
,2
]}

Kalarikkal, Nandakumar ^{[1
,2
]}

Yusuf, S. M. ^{[3
]}

Waghmare, Umesh V. ^{[1
,2
]}

Sundaresan, A. ^{[1
,2
]}

Rao, C. N. R. ^{[1
,2
]}

机构：

[1] Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, New Chem Unit, Theoret Sci Unit, Bangalore 560064, Karnataka, India

[2] Jawaharlal Nehru Ctr Adv Sci Res, Int Ctr Mat Sci, Bangalore 560064, Karnataka, India

[3] Bhabha Atom Res Ctr, Mumbai 400085, Maharashtra, India

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2011年 / 184卷 / 03期

关键词：

AlFeO3; GaFeO3; Ferrimagnetism; Cation disorder; Neutron diffraction; Metal oxide; Mossbauer spectroscopy; FEALO3;

D O I：

10.1016/j.jssc.2010.12.025

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Magnetic properties of the Al1-xGaxFeO3 family of oxides crystallizing in a non-centrosymmetric space group have been investigated in detail along with structural aspects by employing X-ray and neutron diffraction, Mossbauer spectroscopy and other techniques. The study has revealed the occurrence of several interesting features related to unit cell parameters, site disorder and ionic size. Using first-principles density functional theory based calculations, we have attempted to understand how magnetic ordering and related properties in these oxides depend sensitively on disorder at the cation site. The origin and tendency of cations to disorder and the associated properties are traced to the local structure and ionic sizes. (C) 2011 Elsevier Inc. All rights reserved.

引用

页码：494 / 501

页数：8

共 17 条

[11] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

[12] From ultrasoft pseudopotentials to the projector augmented-wave method [J].

Kresse, G ;

Joubert, D .

PHYSICAL REVIEW B, 1999, 59 (03) :1758-1775

[13]

NEATON JE, 2005, PHYS REV B, V72, P14104

[14] ATOMS, MOLECULES, SOLIDS, AND SURFACES - APPLICATIONS OF THE GENERALIZED GRADIENT APPROXIMATION FOR EXCHANGE AND CORRELATION [J].

PERDEW, JP ;

CHEVARY, JA ;

VOSKO, SH ;

JACKSON, KA ;

PEDERSON, MR ;

SINGH, DJ ;

FIOLHAIS, C .

PHYSICAL REVIEW B, 1992, 46 (11) :6671-6687

[15] Low temperature Raman and high field 57Fe Mossbauer study of polycrystalline GaFeO3 [J].

Sharma, Kavita ;

Reddy, V. Raghavendra ;

Kothari, Deepti ;

Gupta, Ajay ;

Banerjee, A. ;

Sathe, V. G. .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (14)

[16] Synthesis and AC magnetic susceptibility measurements of Fe(2-x)AlxO3 compounds [J].

Villafuerte-Castrejón, ME ;

Castillo-Pereyra, E ;

Tartaj, J ;

Fuentes, L ;

Bueno-Baqués, D ;

González, G ;

Matutes-Aquino, JA .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2004, 272 :837-839

[17] Magnetic properties on ferromagnetic FeAlO3 [J].

We, Jee Hoon ;

Kim, Sam Jin ;

Kim, Chul Sung .

IEEE TRANSACTIONS ON MAGNETICS, 2006, 42 (10) :2876-2878

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