
Dear Kwant Developer, I note there was a discussion in the community about next nearest neighbor hopping in the community (Leads with greater than NN hopping<https://www.mail-archive.com/search?l=kwant-discuss@kwant-project.org&q=subject:%22%5C%5BKwant%5C%5D+Leads+with+greater+than+NN+hopping%22&o=newest>). However, I still have the following questions about next nearest neighbour hopping in the lead after reading the discussion. 1. Can we add next nearest neighbour hopping to a lead without expanding the unit cell, if there are only hoppings between nearest neighbouring unit cells even with next nearest neighbour hopping? Can the band structure be calculated properly using the Kwant library? 2. When the lead is attached to the system, will the next nearest neighbour hopping be included in the action automatically? Thank you in advance for your help. KS Chan Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.

Dear KS Chan, You can use kwant.wraparound.wraparound [1] and kwant.plotter.spectrum [2] to compute and plot the band structure of a lead with longer than nearest neighbor hoppings. When attaching such a lead to the scattering region in the latest version Kwant will automatically double the unit cell, which unfortunately means that you need to create two different leads: one for band structure and another one for scattering. Best, Anton [1]: https://kwant-project.org/doc/1/reference/generated/kwant.wraparound.wraparo... [2]: https://kwant-project.org/doc/1/reference/generated/kwant.plotter.spectrum#k... On Tue, Aug 14, 2018 at 6:19 PM Prof. CHAN Kwok Sum <apkschan@cityu.edu.hk> wrote:
Dear Kwant Developer,
I note there was a discussion in the community about next nearest neighbor hopping in the community (Leads with greater than NN hopping).
However, I still have the following questions about next nearest neighbour hopping in the lead after reading the discussion.
1. Can we add next nearest neighbour hopping to a lead without expanding the unit cell, if there are only hoppings between nearest neighbouring unit cells even with next nearest neighbour hopping? Can the band structure be calculated properly using the Kwant library?
2. When the lead is attached to the system, will the next nearest neighbour hopping be included in the action automatically?
Thank you in advance for your help.
KS Chan
Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.

Dear Anton, Thank you. KS On 20/8/2018, 9:25 PM, "Anton Akhmerov" <anton.akhmerov+kd@gmail.com> wrote: Dear KS Chan, You can use kwant.wraparound.wraparound [1] and kwant.plotter.spectrum [2] to compute and plot the band structure of a lead with longer than nearest neighbor hoppings. When attaching such a lead to the scattering region in the latest version Kwant will automatically double the unit cell, which unfortunately means that you need to create two different leads: one for band structure and another one for scattering. Best, Anton [1]: https://kwant-project.org/doc/1/reference/generated/kwant.wraparound.wraparo... [2]: https://kwant-project.org/doc/1/reference/generated/kwant.plotter.spectrum#k... On Tue, Aug 14, 2018 at 6:19 PM Prof. CHAN Kwok Sum <apkschan@cityu.edu.hk> wrote: > > Dear Kwant Developer, > > I note there was a discussion in the community about next nearest neighbor hopping in the community (Leads with greater than NN hopping). > > However, I still have the following questions about next nearest neighbour hopping in the lead after reading the discussion. > > 1. Can we add next nearest neighbour hopping to a lead without expanding the unit cell, if there are only hoppings between nearest neighbouring unit cells even with next nearest neighbour hopping? Can the band structure be calculated properly using the Kwant library? > > 2. When the lead is attached to the system, will the next nearest neighbour hopping be included in the action automatically? > > Thank you in advance for your help. > > KS Chan > > > > > > Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.
participants (2)
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Anton Akhmerov
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Prof. CHAN Kwok Sum