16
General Questions and Answers / Bloch-state velocity
« on: March 11, 2017, 14:54 »
Hi
Is the Bloch-state velocity in ATK same as Fermi velocity?
Thanks.
Is the Bloch-state velocity in ATK same as Fermi velocity?
Thanks.
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17
General Questions and Answers / How to build phosphorene nanoribbons?
« on: October 29, 2016, 09:37 »
Hello
I can easily build any graphene nanoribbon in VNL. However I'm trying to build armchair and zigzag black phosphorene nanoribbons and couldn't accomplish since some atoms have translation as shown in the attached figure. I'd be glad if you could help me build these structures. Thanks.
I can easily build any graphene nanoribbon in VNL. However I'm trying to build armchair and zigzag black phosphorene nanoribbons and couldn't accomplish since some atoms have translation as shown in the attached figure. I'd be glad if you could help me build these structures. Thanks.
18
General Questions and Answers / How to obtain dihydrogenated GNR?
« on: November 17, 2015, 20:54 »
Hello
I can easily form GNR with mono hydrogen at the edges with VNL nanoribbon builder. How can I get a GNR with double hydrogen at the edges? Thanks.
I can easily form GNR with mono hydrogen at the edges with VNL nanoribbon builder. How can I get a GNR with double hydrogen at the edges? Thanks.
19
General Questions and Answers / q-points for inelastic transmission spectrum calculation of nanoribbons
« on: November 7, 2015, 15:46 »
Hello,
I replicated the silicon pn junction inelastic transmission spectrum tutorial. For the silicon structure, following q-points are used in the tutorial:
However I couldn't figure out what Q points to use when I try to find the ITS of nanoribbon structures.
Your help would be appreciated.
Kindest regards
Narin
I replicated the silicon pn junction inelastic transmission spectrum tutorial. For the silicon structure, following q-points are used in the tutorial:
Code
# Define q-points; take only points in first quadrant in (qx,qy) space
numQx = 7
numQy = 7
dQx = 0.5
dQy = 0.5
qx = numpy.linspace(0,dQx,numQx)
qy = numpy.linspace(0,dQy,numQy)However I couldn't figure out what Q points to use when I try to find the ITS of nanoribbon structures.
Your help would be appreciated.
Kindest regards
Narin
20
General Questions and Answers / Something's wrong in the transmission spectrum of silicon pn junction tutorial
« on: October 29, 2015, 16:36 »
Hi,
I did the silicon pn junction tutorial (http://quantumwise.com/publications/tutorials/item/828-silicon-p-n-junction) exactly as stated. When I inspect the transmission from the I-V curve object there seems something weird. In the V=-1V bias, the transmission looks like this:
The transmission is reported as 4.88E-16 in the bias window. At V=1V bias, where pn junction is conducting, the transmission spectrum is this:
.
The transmission at V=1V bias is reported as 3.61E-23 in the bias window.
The current calculation is this:
The current at V=-1V is zero while at V=1V bias, there's the forward current of 0.9nA. According to the transmissions, current of V=-1V should be higher than the current at V=1V. Why is there a contradiction here like this? I ask for your kind help. Thanks in advance.
I did the silicon pn junction tutorial (http://quantumwise.com/publications/tutorials/item/828-silicon-p-n-junction) exactly as stated. When I inspect the transmission from the I-V curve object there seems something weird. In the V=-1V bias, the transmission looks like this:
The transmission is reported as 4.88E-16 in the bias window. At V=1V bias, where pn junction is conducting, the transmission spectrum is this:
. The transmission at V=1V bias is reported as 3.61E-23 in the bias window.
The current calculation is this:
The current at V=-1V is zero while at V=1V bias, there's the forward current of 0.9nA. According to the transmissions, current of V=-1V should be higher than the current at V=1V. Why is there a contradiction here like this? I ask for your kind help. Thanks in advance.
21
General Questions and Answers / IV curve of a doped GNR
« on: October 13, 2015, 20:26 »
Hello
I tried the simulation of a doped armchair GNR (N=10) and obtained its IV curve, I attached my script. I did the doping exactly the same direction as the silicon pn junction tutorial. However as you can see from the attached nc file (https://dropmefiles.com/lRHvy), IV curve is inversed. Could you please give an idea on why I got an inversed IV curve. Also, there are ripples in the non-conducting regime as you can see. Is it normal or should I fine adjuct any parameters? Thanks a lot. Regards.
I tried the simulation of a doped armchair GNR (N=10) and obtained its IV curve, I attached my script. I did the doping exactly the same direction as the silicon pn junction tutorial. However as you can see from the attached nc file (https://dropmefiles.com/lRHvy), IV curve is inversed. Could you please give an idea on why I got an inversed IV curve. Also, there are ripples in the non-conducting regime as you can see. Is it normal or should I fine adjuct any parameters? Thanks a lot. Regards.
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