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blue phosphorene
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Topic: blue phosphorene (Read 2985 times)
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skg
Regular QuantumATK user
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blue phosphorene
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on:
January 6, 2015, 10:57 »
Dear Sir,
I have reproduced the band structure of blue phosphorene given in
http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.176802
our result is almost same However, I am trying to reproduced another paper
http://arxiv.org/abs/1412.0858
in which effect of vertical electric field is shown on monolayer blue phosphorene as well as bilayer phosphorene; but i am not getting effect of vertical electric field on monolayer. Could you please tell me whether my structure is right or not? What in your opinion might be the possible reason for the the problem mentioned above?
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Anders Blom
QuantumATK Staff
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Re: blue phosphorene
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Reply #1 on:
January 12, 2015, 11:24 »
Maybe you need a higher k-point sampling, the article uses 24x24, you have 8x8. Otherwise it's hard to say much since we can't see your results.
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