QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: dibakariitm on November 7, 2015, 20:35

Title: Extracting the hamiltonian for an unit cell of a Nanowire
Post by: dibakariitm on November 7, 2015, 20:35

Hi,

I am new to Quantumwise and as a part of my research work I need to construct  a germanium nanowire oriented in <110> direction. To this end, I have gone through the tutorials for Silicon and InAs nanowires.

 Can someone suggest a way to construct a nanowire oriented in some arbitrary directions for any general material and also how to extract the tight-binding hamiltonian for an unit cell of such a nanowire. Thanks in advance.

Regards,
Dibakar

Title: Re: Extracting the hamiltonian for an unit cell of a Nanowire
Post by: kstokbro on November 10, 2015, 14:39

To construct a nanowire in arbitrary directions, in the builder open builders->nanowire . It use the Wulff construction to setup the nanowire geometry. 

To get out the hamiltonian, see the tutorial:
http://quantumwise.com/documents/tutorials/latest/LowLevelEntities/index.html/

Title: Re: Extracting the hamiltonian for an unit cell of a Nanowire
Post by: debashishdashnits on September 23, 2016, 13:22

I think, we can also build nanowire by surface cleve in a arbitrary direction...

Title: Re: Extracting the hamiltonian for an unit cell of a Nanowire
Post by: Jess Wellendorff on September 26, 2016, 11:13

In principle, yes. But the Nanowire tool allows you to specify the surface energy of the crystal facets, such that the relative size of the those facets on the nanowire become correct.