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We show that charge doping can induce transitions between three distinct adsorbate phases in hydrogenated and fluorinated graphene. By combining ab initio, approximate density functional theory and tight binding calculations we identify a…

Mesoscale and Nanoscale Physics · Physics 2014-10-10 Tim Wehling , Bernhard Grundkötter-Stock , Bálint Aradi , Thomas Niehaus , Thomas Frauenheim

The percentage of substitutional doping of magnetic atoms (Mn) in group-IV-based dilute magnetic semiconductors (DMS) can be increased by co-doping with another conventional electronic dopant (e-dopant) [Zhu et al., Phys. Rev. Lett. 100,…

Materials Science · Physics 2009-06-04 Hua Chen , Wenguang Zhu , Efthimios Kaxiras , Zhenyu Zhang

Coupling of plasmons in graphene at terahert (THz) frequencies with surface plasmons in a heavily-doped substrate is studied theoretically. We reveal that a huge scattering rate may completely damp out the plasmons, so that proper choices…

Mesoscale and Nanoscale Physics · Physics 2014-01-16 A. Satou , Y. Koseki , V. Ryzhii , V. Vyurkov , T. Otsuji

We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are…

Materials Science · Physics 2009-03-03 Blanca Biel , X. Blase , François Triozon , Stephan Roche

Graphene is thought to be a promising materials for many applications. However, pristine graphene is not suitable for most electrochemical devices, where defect engineering is crucial for its performance. We demonstrate how boron doping of…

Materials Science · Physics 2023-07-07 Milica S. Ritopečki , Natalia V. Skorodumova , Ana S. Dobrota , Igor A. Pašti

In this work, electrically and thermally conductive poly (butylene terephthalate) nanocomposites were prepared by in-situ ring-opening polymerization of cyclic butylene terephthalate (CBT) in presence of a tin-based catalyst. One type of…

Materials Science · Physics 2016-10-28 S. Colonna , O. Monticelli , J. Gomez , C. Novara , G. Saracco , A. Fina

Motivated by the ongoing interest in nitrides as materials for spintronics applications we have studied effects of doping with magnetic transition-metal elements (T=Cr,Mn,Fe,Co and Ni) on the electronic properties of semiconducting scandium…

Materials Science · Physics 2020-09-23 Fares Benissad , Abdesalem Houari

The doping of lighter non-metals like boron and nitrogen into graphene represents a promising advancement in the field of nano-electronic devices, particularly in the development of field-effect transistors (FETs). These doped…

Materials Science · Physics 2023-08-16 Vivek Kumar Yadav

The evolution of electronic (spin and charge) excitations upon carrier doping is an extremely important issue in superconducting layered cuprates and the knowledge of its asymmetry between electron- and hole-dopings is still fragmentary.…

Substitutional tungsten doping of VO$_{\text{2}}$ thin films and its effect on the metal-to-insulator transition are investigated by means of X-ray diffraction, Cs-corrected scanning transmission electron microscope (STEM) and ab-initio…

Materials Science · Physics 2014-12-08 Xiaoyan Li , Alexandre Gloter , Alberto Zobelli , Hui Gu , Xun Cao , Ping Jin , Christian Colliex

Graphene functionalized with catalytic transition metals offers high-performance gas sensing by coupling graphene's exceptional electronic transport properties with the metal's catalytic activity, yet the atomistic relationships connecting…

Materials Science · Physics 2025-05-29 Akram Ibrahim , Ahmed M. Hafez , Mahmooda Sultana , Can Ataca

WTe$_2$ is a multifunctional quantum material exhibiting numerous emergent phases in which tuning of the carrier density plays an important role. Here we demonstrate two non-monotonic changes in the electronic structure of WTe$_2$ upon…

We investigate the evolution of the Raman spectrum of defected graphene as a function of doping. Polymer electrolyte gating allows us to move the Fermi level up to 0.7eV, as monitored by \textit{in-situ} Hall-effect measurements. For a…

Materials Science · Physics 2014-10-14 M. Bruna , A. K. Ott , M. Ijas , D. Yoon , U. Sassi , A. C. Ferrari

The phase diagram of electron-doped pnictides is studied varying the temperature, electronic density, and isotropic quenched disorder strength by means of computational techniques applied to a three-orbital ($xz$, $yz$, $xy$) spin-fermion…

Superconductivity · Physics 2015-10-28 Shuhua Liang , Christopher B. Bishop , Adriana Moreo , Elbio Dagotto

Graphene, as a semimetal with the largest known thermal conductivity, is an ideal system to study the interplay between electronic and lattice contributions to thermal transport. While the total electrical and thermal conductivity have been…

Materials Science · Physics 2016-07-12 Tae Yun Kim , Cheol-Hwan Park , Nicola Marzari

Entropy stabilization has garnered significant attention as a new approach to designing novel materials. Much of the work in this area has focused on bulk ceramic processing, leaving entropy-stabilized thin films relatively underexplored.…

Materials Science · Physics 2020-06-29 Valerie Jacobson , Dave Diercks , Bobby To , Andriy Zakutayev , Geoff Brennecka

We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered.…

Chemical Physics · Physics 2015-05-14 Julia Berashevich , Tapash Chakraborty

We report electronic structure and physical properties of metal doped picene as well as selective synthesis of the phase exhibiting 18 K superconducting transition. First, Raman scattering is used to characterize the number of electrons…

We examined doping effect of 3d transition metal elements (TM: Cr, Mn, Co, Ni, and Cu) at the Fe site of a quaternary fluoroarsenide CaFeAsF, an analogue of 1111-type parent compound LaFeAsO. The anomaly at ~120 K observed in resistivity…

Two essential ingredients for the quantum anomalous Hall (QAH) effect, i.e. topological and magnetic orders, can be combined by doping magnetic ions into a topological insulator (TI) film. Through this approach, the QAH effect has been…

Mesoscale and Nanoscale Physics · Physics 2026-04-28 Fei Wang , Yi-Fan Zhao , Zijie Yan , Hemian Yi , Wei Yuan , Lingjie Zhou , Weiwei Zhao , Moses H. W. Chan , Cui-Zu Chang
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