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Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…

Materials Science · Physics 2019-09-04 Adlen Smiri , Iann Gerber , Samir Lounis , Sihem Jaziri

Using Density functional theory (DFT) in conjunction with a solvation model we have investigated the phenomenon of eletrode-electrolyte interaction at the electrode surface and its consequences on the electrochemical properties like the…

Materials Science · Physics 2022-04-20 Mandira Das , Subhradip Ghosh

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

The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…

Materials Science · Physics 2022-01-12 Takuya Yoshioka , Hiroki Tsuchiura , Pavel Novák

By using the density functional theory method, we systematically study the influences of the doping of an Al atom on the electronic structures of the Mg(0001) surface and dissociation behaviors of H2 molecules. We find that for the Al-doped…

Chemical Physics · Physics 2015-05-14 Yanfang Li , Yu Yang , Yinghui Wei , Ping Zhang

We present a systematic study of the electronic structure in A-site ordered manganites as function of doping and temperature. The energy dependencies observed with soft x-ray resonant diffraction (SXRD) at the Mn L_{2,3} edges are compared…

The magnetism in 12.5% and 25% Mn delta-doped cubic GaN has been investigated using the density-functional theory calculations. The results show that the single-layer delta-doping and half-delta-doping structures show robust ground state…

Materials Science · Physics 2009-01-20 Xingtao Jia , Wei Yang , Minghui Qin , Xinglai Zhang , Xindong Cui , Mingai Sun

Polarization induced degenerate $n$-type doping with electron concentrations up to $\sim$10$^{20}$\,cm$^{-3}$ is achieved in graded Al$_{x}$Ga$_{1-x}$N layers ($x$: 0\%$\rightarrow$37\%) grown on unintentionally doped and on $n$-doped…

Mesoscale and Nanoscale Physics · Physics 2016-02-17 R. Adhikari , Tian Li , G. Capuzzo , A. Bonanni

The local density of states of Mn-Mn pairs in GaAs is mapped with cross-sectional scanning tunneling microscopy and compared with theoretical calculations based on envelope-function and tight-binding models. These measurements and…

Recently, new quantum features have been observed and studied in the area of nanostructured layers. Nanograting on the surface of the thin layer imposes additional boundary conditions on the electron wave function and induces G-doping or…

Mesoscale and Nanoscale Physics · Physics 2014-02-25 A. Tavkhelidze

Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer $\delta$-doping of {\em interstitial} Mn (Mn$_{\mathrm int}$) are half-metallic. For Mn$_{\mathrm int}$…

Materials Science · Physics 2007-05-23 Hua Wu , Peter Kratzer , Matthias Scheffler

Magnetic impurities provide a route toward increasing functionality in electronic materials, often enabling new device concepts and architectures. In the case of topological semimetals, dilute magnetic doping presents a particularly…

We report here an experimental and theoretical study on the magnetoresistance properties of heavily phosphorous doped germanium on the metallic side of the metal-nonmetal transition. An anomalous regime, formed by negative values of the…

As a two-dimensional material with a hollow hexatomic ring structure, N\'eel-type anti-ferromagnetic (AFM) GdI3 can be used as a theoretical model to study the effect of electron doping. Based on first-principles calculations, we find that…

Materials Science · Physics 2023-05-11 Rong Guo , Yilv Guo , Yehui Zhang , Xiaoshu Gong , Tingbo Zhang , Xing Yu , Shijun Yuan , Jinlan Wang

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

Dilute magnetic semiconductors (DMS) are nonmagnetic semiconductors doped with magnetic transition metals. The recently discovered DMS material (Ba$_{1-x}$K$_{x}$)(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ offers a unique and versatile control of…

Materials Science · Physics 2018-03-28 M. A. Surmach , B. J. Chen Z. Deng , C. Q. Jin , J. K. Glasbrenner , I. I. Mazin , A. Ivanov , D. S. Inosov

Recent experiments on Mn-doped ZnS nanocrystals have shown unusual magnetization properties. We describe a nearest-neighbor Heisenberg exchange model for calculating the magnetization ratios of these antiferromagnetically doped crystals, in…

Condensed Matter · Physics 2007-05-23 Joshua Schrier , K. Birgitta Whaley

The novel nickelate superconductors of infinite-layer type feature challenging electronic pecularities in the normal-state phase diagram with doping. Distinct many-body behavior and different dispersion regimes of the entangled…

Strongly Correlated Electrons · Physics 2021-04-29 Frank Lechermann

Stoichiometric SiNx layers (x = [N]/[Si] = 1.33) are doped with Si atoms by ultra-low energy ion implantation (ULE-II) and subsequently annealed at different temperatures in inert ambient conditions. Detailed material and memory cells…

We consider dilute magnetic doping in the surface of a three dimensional topological insulator where a two dimensional Dirac electron gas resides. We find that exchange coupling between magnetic atoms and the Dirac electrons has a strong…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 A. S. Núñez , J. Fernández-Rossier