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In a recent letter, it has been predicted within first principle studies that Mn-doped ZrO2 compounds could be good candidate for spintronics application because expected to exhibit ferromagnetism far beyond room temperature. Our purpose is…

Materials Science · Physics 2013-02-21 S. K. Srivastava , P. Lejay , B. Barbara , O. Boisron , S. Pailhès , G. Bouzerar

The magnetization dynamics in diluted magnetic semiconductor heterostructures based on (Zn,Mn)Se and (Cd,Mn)Te has been studied experimentally by optical methods and simulated numerically. In the samples with nonhomogeneous magnetic ion…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 A. A. Maksimov , D. R. Yakovlev , J. Debus , I. I. Tartakovskii , A. Waag , G. Karczewski , T. Wojtowicz , J. Kossut , M. Bayer

Using density functional theory, we investigate fluctuations of the ground state energy of spin-polarized, disordered quantum dots in the metallic regime. To compare to experiment, we evaluate the distribution of addition energies and find…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 K. Hirose , F. Zhou , N. Wingreen

By direct magnetization measurements, performed employing a new detection scheme, we demonstrate an electrical control of magnetization in wurtzite (Ga,Mn)N. In this dilute magnetic insulator the Fermi energy is pinned by Mn ions in the…

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

Nominally 45 nm GaN:Mg/ 5 nm (Ga,Mn)N / 45 nm GaN:Mg trilayers structures prepared by molecular beam epitaxy on GaN-buffered Al2O3 substrates are investigated to verify whether the indirect co-doping by holes from the cladding layers can…

Materials Science · Physics 2021-02-25 Katarzyna Gas , Gerd Kunert , Piotr Dluzewski , Rafal Jakiela , Detlef Hommel , Maciej Sawicki

The significance of the spin-orbit interaction is very well known in compounds containing heavier elements such as the rare-earth Eu ion. Here, through density functional calculations, we investigated the effect of the spin-orbit…

Several experimental studies have referred to the grain boundary (GB) defect as the origin of the ferromagnetism in ZnO. However, the mechanism of this hypothesis has never been confirmed. Present study investigates the atomic structure and…

Materials Science · Physics 2016-01-20 S. Assa Aravindh , Udo Schwingenschloegl , Iman S. Roqan

We investigate effects of doping on formation energy and concentration of oxygen vacancies at a metal oxide surface, using MgO (100) as an example. Our approach employs density-functional theory, where the performance of the…

Materials Science · Physics 2013-05-24 Norina A. Richter , Sabrina Sicolo , Sergey V. Levchenko , Joachim Sauer , Matthias Scheffler

Mn-doped wurtzite GaN epilayers have been grown by nitrogen plasma-assisted molecular beam epitaxy. Correlated SIMS, structural and magnetic measurements show that the incorporation of Mn strongly depends on the conditions of the growth.…

We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in the framework of generalized gradient approximation + Hubbard…

Materials Science · Physics 2015-05-20 Nirmal Ganguli , Indra Dasgupta , Biplab Sanyal

We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with 2 nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases:…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 C. Echeverría-Arrondo , J. Pérez-Conde , A. Ayuela

We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant…

Mesoscale and Nanoscale Physics · Physics 2015-03-13 C. Echeverría-Arrondo , J. Pérez-Conde , A. Ayuela

We discuss the microstructural origin of enhanced radial growth in magnesium (Mg) doped gallium nitride (GaN) nanorods (NRs) using electron microscopy and \textit{first-principles} Density Functional Theory calculations. Experimentally, we…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Sanjay Nayak , Rajendra Kumar , Nagaraja KK , S. M. Shivaprasad

Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball milled, sputter deposited, and…

Materials Science · Physics 2016-01-27 David B. Bober , Amirhossein Khalajhedayati , Mukul Kumar , Timothy J. Rupert

The effect of Fe substitution on Mn sites in the colossal magnetoresistive compounds La0.65Ca0.35Mn1-xFexO3 with 0.01<x<0.1 have been studied. A careful study in the magnetic properties has been carried out by the measurement of ac…

Strongly Correlated Electrons · Physics 2010-07-13 Wiqar Hussain Shah , S. K. Hasanain

The interaction of Mn with Ge quantum dots (QD), which are bounded by {105} facets, and the strained Ge wetting layer (WL), terminated by a (001) surface, is investigated with scanning tunneling microscopy (STM). Mn is deposited on the Ge…

Materials Science · Physics 2012-10-31 C. A. Nolph. J. K. Kassim , J. A. Floro , P. Reinke

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…

Materials Science · Physics 2007-05-23 B. R. K. Nanda , I. Dasgupta

The effect of Fe doping in the Mn site on the magnetic, transport and structural properties of polycrystalline La1/2Ca1/2MnO3 was studied. Doping with low Fe concentration (< 10%) strongly affects electrical transport and magnetization.…

Materials Science · Physics 2016-08-31 P. Levy , L. Granja , E. Indelicato , D. Vega , G. Polla , F. Parisi

Elements with low thermal neutron absorption cross-sections are ideal for enhancing structural materials in nuclear systems. In this study, We systematically investigate the segregation and co-segregation behaviors of eleven elements at the…

Materials Science · Physics 2025-11-26 Guanlin Lyu , Yuguo Sun , Panpan Gao , Ping Qian