Specifications
Main heading: Biodegradation
Controlled terms: Carbon dioxide - Fourier transform infrared spectroscopy - Functional
groups - Lignin - Matrix algebra - Metabolism - Microbiology - Optimization
Uncontrolled terms: Bacterial degradation - Lignosulfonates - Metabolic products -
Sphingobacterium sp - Taguchi's orthogonal arrays
Classification code: 921.5 Optimization Techniques - 921.1 Algebra - 815.1.1 Organic
Polymers - 804.2 Inorganic Compounds - 804.1 Organic Compounds - 801.2
Biochemistry - 801 Chemistry
DOI: 10.1016/j.ibiod.2013.06.032
Database: Compendex
Compilation and indexing terms, © 2013 Elsevier Inc.
5.
Accession number: 20134016814001
Title: Roles of oxygen vacancy on ferromagnetism in Ni doped In2O 3: A hybrid functional study
Authors: Wang, V.1 ; You, C.-Y.2 ; He, H.-P.3 ; Ma, D.-M.1 ; Mizuseki, H.4 ; Kawazoe, Y.4/王伟;游
才印;;;;;
Author affiliation: 1 Department of Applied Physics, Xi'An University of Technology, Xi'an
710054, China
2 School of Materials Science and Engineering, Xi'An University of Technology, Xi'an 710048,
China
3 Department of Geological Engineering, Lanzhou Resources and Environment Voc-Tech College,
Lanzhou 730021, China
4 Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
Corresponding author: Wang, V. (wangvei@icloud.com)
Source title: Journal of Magnetism and Magnetic Materials
Abbreviated source title: J Magn Magn Mater
Volume: 348
Issue date: 2013
Publication year: 2013
Pages: 55-60
Language: English
ISSN: 03048853
CODEN: JMMMDC
Document type: Journal article (JA)
Publisher: Elsevier, P.O. Box 211, Amsterdam, 1000 AE, Netherlands
Abstract: The roles of oxygen vacancies on the electronic and magnetic properties of Ni doped
In2O3 have been studied by first-principles calculations based on hybrid functional theory. Our
results predict that the Ni-doped In2O3 system displays a ferromagnetic semiconducting
character. However, the presence of oxygen vacancies results in antiferromagnetic coupling
between the neighboring Ni pair bridged by an oxygen vacancy. The antiferromagnetic coupling is
found to arise from the predominant role of superexchange due to the strong Ni 3d-O 2p
hybridization. Consequently, the oxygen vacancies play a key role in the lower saturation
magnetization of Ni:In2O3 polycrystalline sample, as observed in experiments. © 2013 Elsevier