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High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F16%3A10325135" target="_blank" >RIV/00216208:11310/16:10325135 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1039/c6tc01287f" target="_blank" >http://dx.doi.org/10.1039/c6tc01287f</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/c6tc01287f" target="_blank" >10.1039/c6tc01287f</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

  • Original language description

    Searching for two-dimensional (2D) materials with room-temperature magnetic order and high spin-polarization is essential for the development of next-generation nanospintronic devices. A new class of 2D magnetic materials with high Neel temperature, fully compensated antiferromagnetic order (zero magnetization) and completely spin-polarized semiconductivity is proposed for the first time. Based on the density functional theory calculations, we predict these properties for asymmetrically functionalized MXenes (Janus Cr2C) - Cr2CXX' (X, X' = H, F, Cl, Br, OH). The valence and conduction bands in these materials are made up of opposite spin channels and they can behave as bipolar magnetic semiconductors with zero magnetization. A Neel temperature as high as 400 K has been found for Cr2CFCl, Cr2CClBr, Cr2CHCl, Cr2CHF, and Cr2CFOH materials. Remarkably, the spin carrier orientation and induced transition from bipolar magnetic semiconductors to half-metal antiferromagnets can be easily controlled by electron or hole doping. The band gap of Janus MXenes can be effectively tuned by the selection of a pair of chemical elements/functional groups terminating the upper and the lower surfaces. The spin-polarized semiconductivity with zero magnetism is preserved when MXenes are put on the SiC(0001) support. The results presented herein open a new road towards the construction of 2D high-temperature spin-polarized materials with anti-ferromagnetism potentially suitable for spintronic applications.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GBP106%2F12%2FG015" target="_blank" >GBP106/12/G015: Intelligent design of nanoporous adsorbents and catalysts</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2016

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Materials Chemistry C

  • ISSN

    2050-7526

  • e-ISSN

  • Volume of the periodical

    4

  • Issue of the periodical within the volume

    27

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    10

  • Pages from-to

    6500-6509

  • UT code for WoS article

    000379436900011

  • EID of the result in the Scopus database