alexa Structural, Electronic and Magnetic Properties of Geome
ISSN: 2169-0022

Journal of Material Sciences & Engineering
Open Access

OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations

700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Research Article

Structural, Electronic and Magnetic Properties of Geometrically Frustrated Spinel CdCr2O4 from First-principles Based on Density Functional Theory

Bolandhemat N1*, Rahman M1 and Shuaibu A1,2

1Department of Physics, Faculty of Science, University Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia

2Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109, Kaduna, Nigeria

*Corresponding Author:
Bolandhemata N
Department of Physics,Faculty of Science
University Putra Malaysia
43400 UPM Serdang, Selangor, Malaysia
Tel: 60129151343
E-mail: [email protected]

Received date: March 27, 2016; Accepted date: April 22, 2016; Published date: May 02, 2016

Citation: Bolandhemat N, Rahmana M, Shuaibua A (2016) Structural, Electronic and Magnetic Properties of Geometrically Frustrated Spinel CdCr2O4 from First-principles Based on Density Functional Theory. J Material Sci Eng 5:250. doi:10.4172/2169-0022.1000250

Copyright: © 2016 Bolandhemata N, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.



First-principles calculations are used to investigate the structural, electronic, and magnetic properties of CdCr2O4 with magnetic Cr cations, focusing on the changes through the magnetic phase transitions which shows relief of the geometric frustration of the ferromagnetic and antiferromagnetic orderings on the pyrochlore lattice. We computed the structural and electronic properties for the paramagnetic, ferromagnetic and antiferromagnetic orderings in cubic ( F 3 dm) and tetragonal (I41 ⁄amd) structures of CdCr2O4. We optimized the crystal structures with the PM, FM and AFM orderings using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation (GGA), and computed the electronic properties to investigate the magnetic properties in the geometrically frustrated ferromagnetic and antiferromagnetic spinel CdCr2O4 based on density functional theory and understanding of the principles of Quantum ESPRESSO in magnetic materials. On the other hand, the effect of magnetism were obtained and analyzed on the basis of density of states (DOS), projected density of states (PDOS), and charge density distribution.


Share This Page

Additional Info

Loading Please wait..
Peer Reviewed Journals
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version