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We present a detailed study of the magnetic properties of unique cluster assembled solids namely Mn doped Ge46 and Ba8Ge46 clathrates using density functional theory. We find that ferromagnetic (FM) ground states may be realized in both the…

Materials Science · Physics 2016-11-26 Nirmal Ganguli , K. V. Shanavas , Indra Dasgupta

The rapidly developing field of ferromagnetism in diluted magnetic semiconductors, where a semiconductor host is magnetically doped by transition metal impurities to produce a ferromagnetic semiconductor (e.g. Ga_{1-x}Mn_xAs with x ~ 1-10…

Materials Science · Physics 2009-11-10 S. Das Sarma , E. H. Hwang , A. Kaminski

Novel or unusual magnetism is a subject of considerable interest, particularly in metals and degenerate semiconductors. In such materials the interplay of magnetism, transport and other Fermi liquid properties can lead to fascinating…

Materials Science · Physics 2013-12-18 David J. Singh , David Parker

The structure and magnetic properties in doped Heusler alloys of Mn2CoGa and Mn2CoAl have been investigated by experiments and calculations. The main group elements of Ga and Al are substituted by the magnetic or non-magnetic transition…

Materials Science · Physics 2013-03-26 Y. J. Zhang , G. J. Li , E. K. Liu , J. L. Chen , W. H. Wang , G. H. Wu

Single-phase Mg-doped ZnFe$_2$O$_4$ nanoparticles with x= 0, 0.3, 0.5, 0.7 have been prepared by the glycol-thermal method without any subsequent calcination. The crystallite size, microstructure and magnetic properties of the prepared…

Materials Science · Physics 2025-08-20 Kemi Y. Adewale , Itegbeyogene P. Ezekiel

The magnetic polarization induced by nonmagnetic impurities such as Zn in high Tc cuprate compounds is studied by the variational Monte Carlo simulation. The variational wave function is constructed from the eigenstates obtained from…

Strongly Correlated Electrons · Physics 2009-11-07 Shi-Dong Liang , T. K. Lee

Spectroscopic data demonstrate that impurity D/A levels in doped semiconductor nanostructures are energetically pinned, resulting in variations in D/A binding energies with increasing quantum confinement. Using magnetic circular dichroism…

Materials Science · Physics 2007-05-23 Nick S. Norberg , Gustavo M. Dalpian , James R. Chelikowsky , Daniel R. Gamelin

In transition metal doped ZnO, the energy position of dopant 3$d$ states relative to host conduction and valence bands is crucial in determining the possibilty of long range ferromagnetism. Density functional theory based estimates of the…

Materials Science · Physics 2013-07-12 I. Abdolhosseini Sarsari , C. D. Pemmaraju , H. Salamati , S. Sanvito

We report here our study on SiC doped with transition metals using first principle density functional theory calculations. We have considered cubic SiC with 3d transition metals as substitutional impurities for Si and C site separately.…

Materials Science · Physics 2011-11-28 Padmaja Patnaik , Gautam Mukhopadhyay , Prabhakar P. Singh

While ferromagnetism at relatively high temperatures is seen in diluted magnetic semiconductors such as Ga_(1-x)Mn_(x)As, doped semiconductors without magnetic ions have not shown evidence for ferromagnetism. Using a generalized disordered…

Strongly Correlated Electrons · Physics 2009-11-13 Erik Nielsen , R. N. Bhatt

We report room temperature ferromagnetism in as-implanted Eu doped ZnO (ZnO:Eu). To address the origin of ferromagnetism ab initio calculations of ZnO:Eu system are performed. Results show that the ferromagnetism is induced by ZnO point…

Materials Science · Physics 2010-06-22 M. H. N. Assadi , Y. B. Zhang , M. Ionescu , P. Photongkam , S. Li

Zero-field muon spin rotation experiments provide evidence for an antiferromagnetic component in the magnetic structure of the intermetallics ZrZn2.

Strongly Correlated Electrons · Physics 2007-05-23 P. Dalmas de Reotier , G. Lapertot , A. Yaouanc , P. C. M. Gubbens , S. Sakarya , A. Amato

The present work aims to study the effect of ion irradiation on structural and electrical properties and their correlation with the defects in Zn1-xMnxO type system. Zn1-xMnxO (x = 0.02, 0.04) samples have been synthesized by solid-state…

Materials Science · Physics 2011-05-10 S. K. Neogi , S. Chattopadhyay , Aritra Banerjee , S. Bandyopadhyay , A. Sarkar , Ravi Kumar

The possibility that the apparent room temperature ferromagnetism, often measured in Co-doped ZnO, is due to uncompensated spins at the surface of wurtzite CoO nanoclusters is investigated by means of a combination of density functional…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Ruairi Hanafin , Thomas Archer , Stefano Sanvito

Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…

Materials Science · Physics 2023-08-23 Flynn Walsh , Robert O. Ritchie , Mark Asta

Spinel ferrite Cu1-xZnxFe2O4 nanofibers over a compositional range 0 < x < 1 were prepared by electrospinning combined with sol-gel method. The influence of Zn2+ ions substitution on morphology, structure, and magnetic properties of copper…

Materials Science · Physics 2011-06-08 Weiwei Pan , Fengmei Gu , Kuo Qi , Qingfang Liu , Jianbo Wang

The realization of semiconductors that are ferromagnetic above room temperature will potentially lead to a new generation of spintronic devices with revolutionary electrical and optical properties. Transition temperatures in doped ZnO are…

Strongly Correlated Electrons · Physics 2009-11-11 XH Xu , AJ Behan , M Ziese , HJ Blythe , JR Neal , A Mokhtari , MR Ibrahim , AM Fox , GA Gehring

Magnetic properties of Re substituting for the divalent Zn ions and impurity pairs in wurtzite and zinc blende ZnO are analyzed by employing the Generalized Gradient Approximation with the +U corrections. The +U term applied to d(Zn), p(O),…

Materials Science · Physics 2018-04-05 O. Volnianska

Recently, d0 ferromagnetic materials have been projected as one of the promising novel materials for spintronics applications. In this work, we have studied Li-doped ZnO compounds, i.e. Zn1-xLixO (x=0, 0.02, 0.04, and 0.06) samples,…

Materials Science · Physics 2021-02-16 L. Chouhan , G. Bouzerar , S. K. Srivastava

The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal (TM=Mn, Co) impurities in p-type ZnO. Based on the total energy considerations, we find a…

Strongly Correlated Electrons · Physics 2007-05-23 L. Petit , T. C. Schulthess , A. Svane , Z. Szotek , W. M. Temmerman , A. Janotti