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SilviaCasassaundefined

SilviaCasassa

@SilviaCasassa
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  • Double Walled Naontubes X(n1,0)@Y(n2>>n1,0)
    SilviaCasassaundefined SilviaCasassa

    goodmorning,

    ok... now I understand better. This is an example. I chose the space group 73 because the 78 has a mirror plane... I don't know which kind of lattice do you want to simulate ...neither if the two lattice (BeO and MgO) are commensurable ...but the idea is to build a two-layers slab, one layer of MgO and the other layer of BeO and then roll the slab
    The lattice parameter is chosen randomly ...

    Title
    SLAB
    73
    3.47
    4
    8 0.5 0.0 0.000000
    4  0.0 0.0 0.0000
    12 0.5 0.0 2.200000
    8  0.0 0.0 2.2000
    SWCNT
    10 10
    TESTGEOM
    END
    END
    

  • Double Walled Naontubes X(n1,0)@Y(n2>>n1,0)
    SilviaCasassaundefined SilviaCasassa

    the ZnO@GaN were done exactly in this way... if you roll up a two-layers slab you end with a double wall nanotube

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