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Offline sam1026

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graphene junction
« on: February 23, 2014, 21:30 »
i have used graphene junction with aza structure for high dielectric constants but not getting much difference from previous values? why is it so. i have used the basic sampling points k=1,1,100 using DFT but will it work if i use k=2,2,400 and will give more or less same results?

secondly, will the results will match more or less with the zaz structure? should i go for it or not? :o
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Offline Dipankar Saha

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Re: graphene junction
« Reply #1 on: February 26, 2014, 11:25 »
1) Z-A-Z struct. was taken with the basic assumption... that the two end ZGNR regions will behave as metallic (so can be used for electrodes)...and, the central AGNR region as semiconducting (so can be used as channel)...../ What is point in taking A-Z-A ??
2) Arbitrarily changing the k-ponits may not be the solution..../ rather you should find out why are not you getting the effect of di-electric material change?....... what should be the distance between edge of the channel material to the oxide surface?.... etc. etc. 
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Offline sam1026

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Re: graphene junction
« Reply #2 on: March 1, 2014, 20:45 »
so, does it mean there is no fun in taking AZA structure and how can i change the distance between the edge of the channel material to the oxide surface in vnl?
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