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We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

Materials Science · Physics 2025-08-20 Kulbhushan Mishra , Shishir Kumar Pandey , S. Chaudhuri , Rajeev Rawat , P. A. Bhobe

The effects of nonmagnetic Zn and magnetic Ni substitution for Cu site on magnetism are studied by measurements of uniform magnetic susceptibility for lightly doped La_{2-x}Sr_xCu_{1-z}M_zO_4 (M=Zn or Ni) polycrystalline samples. For the…

Superconductivity · Physics 2009-11-10 T. Machi , I. Kato , R. Hareyama , N. Watanabe , Y. Itoh , N. Koshizuka , S. Arai , M. Murakami

Magnetocrystalline anisotropy (MCA) in doped Ce$_{2}$Co$_{17}$ and other competing structures was investigated using density functional theory. We confirmed that the MCA contribution from dumbbell Co sites is very negative. Replacing Co…

Materials Science · Physics 2018-04-11 Liqin Ke , D. A. Kukusta , Duane D. Johnson

The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…

Strongly Correlated Electrons · Physics 2014-01-21 A. V. Ushakov , S. V. Streltsov , D. I. Khomskii

The effect of electron doping on the structural, transport, and magnetic properties of Mn (IV) - rich Ca1-xYxMnO3 (x < 0.2) samples have been investigated using neutron diffraction, neutron depolarization, magnetization and resistivity…

Materials Science · Physics 2016-02-09 Neetika Sharma , A. Das , C. L. Prajapat , Amit Kumar , M. R. Singh

In the past decade, room temperature ferromagnetism was often observed in transition metal doped semiconductors, which were claimed as diluted magnetic semiconductors (DMS). Nowadays intensive activities are devoted to clarify wether the…

Materials Science · Physics 2013-01-03 Shengqiang Zhou , K. Potzger , G. Talut , J. von Borany , W. Skorupa , M. Helm , J. Fassbender

Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…

Materials Science · Physics 2024-06-05 Apurba Sarkar , Joydeep Chatterjee , Arghya Taraphder , Nandan Pakhira

The effects of Cu-doping on the structural, magnetic, and transport properties of La0.7Sr0.3Mn1-xCuxO3 (0 < x < 0.20) have been studied using neutron diffraction, magnetization and magnetoresistance (MR) measurements. All samples show the…

Materials Science · Physics 2009-11-11 M. S. Kim , J. B. Yang , Q. Cai , X. D. Zhou , W. J. James , W. B. Yelon , P. E. Parris , D. Buddhikot , S. K. Malik

In this letter, the authors present a study of the energetics and magnetic interactions in Fe doped ZnO clusters by ab-initio density functional calculations. The results indicate that defects under suitable conditions can induce…

Materials Science · Physics 2009-05-15 Nirmal Ganguli , Indra Dasgupta , Biplab Sanyal

Using {\it ab initio} total energy density-functional theory calculations, we investigate the electronic, structural and magnetic properties of Manganese doped Germanium nanowires. The nanowires have been constructed along the [110]…

Materials Science · Physics 2016-08-16 J. T. Arantes , Antônio J. R. da Silva , A. Fazzio

This paper, based on a presentation at the Spintronics 2001 conference, provides a review of our studies on II-VI and III-V Mn-doped Diluted Magnetic Semiconductors. We use simple models appropriate for the low carrier density (insulating)…

Materials Science · Physics 2007-05-23 R. N. Bhatt , Mona Berciu , Malcolm P. Kennett , Xin Wan

A dynamic model of the asymmetric Ising glass is presented: an Ising model with antiferromagnet bonds with probabilities q arranged at random in a ferromagnetic matrix. The dynamics is introduced by changing the arrangement of the…

Statistical Mechanics · Physics 2009-11-13 Gillian A Gehring , Mahrous R Ahmed , Alex J. Crombie

The role of Cr incorporation into the ZnO were probed through investigations into the structural, optical and magnetic properties. Zn1-xCrxO with x = 0, 0.01, 0.03 and 0.05, nanoparticles were prepared by solution combustion method. Powder…

Materials Science · Physics 2021-11-16 H. S. Lokesha , P. Mohanty , A. R. E. Prinsloo , C. J. Sheppard

We present a unified band structure model to explain magnetic ordering in Mn-doped semiconductors. This model is based on the $p$-$d$ and $d$-$d$ level repulsions between the Mn ions and host elements and can successfully explain magnetic…

Materials Science · Physics 2009-11-11 Gustavo M. Dalpian , Su-Huai Wei , X. G. Gong , Antônio J. R. da Silva , A. Fazzio

Co-doped ZnO is the prototypical dilute magnetic oxide showing many of the characteristics of ferromagnetism. The microscopic origin of the long range order however remains elusive, since the conventional mechanisms for the magnetic…

Materials Science · Physics 2015-05-18 Thomas Archer , Chaitanya Das Pemmaraju , Stefano Sanvito

In rare-earth permanent magnets (REPM's), trade-off's between intrinsic magnetic properties are often encountered. A recent example is SmFe$_{12}$ where excellent magnetic properties can be achieved at the sacrifice of bulk structure…

Materials Science · Physics 2020-06-22 Munehisa Matsumoto , Takafumi Hawai , Kanta Ono

Density functional theory is used to systematically study the electronic and magnetic properties of doped MoS$_2$ monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional…

Materials Science · Physics 2013-08-21 Kapildeb Dolui , Ivan Rungger , Chaitanya Das Pemmaraju , Stefano Sanvito

Two-dimensional structures that exhibit intriguing magnetic phenomena such as perpendicular magnetic anisotropy and switchable magnetization are of great interests in spintronics research. Herein, the density-functional theory studies…

Computational Physics · Physics 2018-04-04 P. Taivansaikhan , T. Tsevelmaa , S. H. Rhim , S. C. Hong , D. Odkhuu

We investigated the crystal and magnetic structures of the spin-1/2 frustrated antiferromagnet Cu3Mo2O9 in which the spin system consists of antiferromagnetic chains and dimers. The space group at room temperature has been reported to be…

We present a theory of interstitial Mn in Mn-doped ferromagnetic semiconductors. Using density-functional theory, we show that under the non-equilibrium conditions of growth, interstitial Mn is easily formed near the surface by a simple…

Materials Science · Physics 2009-11-07 Steven C. Erwin , A. G. Petukhov
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