QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: njuxyh on April 30, 2015, 19:58
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Hi :
i am trying to construct a top-contact semiconductor-metal junction, the first problem to search is the lattice matching.
after i search Cu, Zn, AL,Au,Ag, Ni, Ti, Ta, In, Pt, Pd and found only the lattice of Zn(10-10) surface is nearly close to the semiconductor surface.
so my question is 1.
that is the Zn(10-10) surface stable,can it be used to the substrate here? because according my uncertain memory, (111) surface is the most stable, such as cu (111),
the surface lattice of the semiconductor is about a:4.96,b:3.40, and i want to calculate the transport properties along b,
would anyone kindly give some hints to find the suitable metal surface to match the semiconductor lattice?
thanks very much!
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You can extend the surface area to look for the lattice match. That is to say, a_1 and b_1 are not close to a_2 and b_2, respectively, but you may find a proper integer values of m or n so that m* a_1 (or m * b_2) is approximately close to n * a_2 (or n * b_2).
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You can also match all these surfaces with the Interface Plugin present in the Builder to explore all the possibilities (surface area and relative rotation of the two surfaces)
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yes, it is a large work to explore the lattice matching, i will try it.
but another question is that in experiments, there is stable metal surface, such as cu (111), so i do not know such as Zn(10-10) surface is stable or not?
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For the second questions, please check the literature by yourself. The surface properties of such elements could be well studied.