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Band Structure Lab

By Samik Mukherjee¹, Abhijeet Paul¹, Neophytos Neophytou¹, Raseong Kim¹, Junzhe Geng¹, Michael Povolotskyi¹, Tillmann Christoph Kubis¹, Arvind Ajoy¹, Bozidar Novakovic¹, Sebastian Steiger¹, Michael McLennan¹, Mark Lundstrom¹, Gerhard Klimeck¹

1. Purdue University

Computes the electronic structure of various materials in the spatial configuration of bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and wires (confined in 2 dimensions and infinitely periodic …

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Version 3.0.2 - published on 12 Feb 2013

doi:10.4231/D32R3NW9B cite this

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Recent Wishes (24)
481	MPI parallelism not utilized Proposed by Gerhard Klimeck @ 09:58 PM on 10 Feb 2013 • 1	500 points	0 Like 0 Dislike
72	enable a voltage sweep over the selfconsistent calculations Proposed by Gerhard Klimeck @ 10:54 AM on 03 Aug 2009 • 1	200 points	1 Like 0 Dislike	Accepted
350	nromalize the k values to the zone edge so the zone edge is at 1.0 Proposed by Gerhard Klimeck @ 04:04 PM on 18 Jun 2011 • 0	100 points	0 Like 0 Dislike
349	need to compare the 110 and 100 dispersion of an UTB on the same graph. Proposed by Gerhard Klimeck @ 04:02 PM on 18 Jun 2011 • 0	100 points	0 Like 0 Dislike
189	please rescale the 3D plot of conduction bands in bulk Proposed by Gerhard Klimeck @ 05:48 PM on 11 Feb 2010 • 0	100 points	0 Like 0 Dislike
71	resolve unintuitive interdependence of "Device Structure" and "Analysis" input Proposed by Gerhard Klimeck @ 10:52 AM on 03 Aug 2009 • 0	100 points	0 Like 0 Dislike
3	electrostatic potential and the charge density in the new Rappture -based visualization Proposed by Anonymous @ 04:32 PM on 13 May 2009 • 2	50 points	1 Like 0 Dislike
4	compare the initial and the final dispersion in selfconsistent calculation Proposed by Anonymous @ 04:34 PM on 13 May 2009 • 2	50 points	0 Like 0 Dislike	Accepted
7	2d cuts through potential and charge through high symmetry lines Proposed by Anonymous @ 04:48 PM on 13 May 2009 • 1	20 points	1 Like 0 Dislike
31	UTB improvements Proposed by Gerhard Klimeck @ 09:02 PM on 31 May 2009 • 4	20 points	0 Like 0 Dislike	Accepted
33	nanowire improvements Proposed by Gerhard Klimeck @ 09:05 PM on 31 May 2009 • 0	20 points	0 Like 0 Dislike
29	unify output options for easier parsing Proposed by Gerhard Klimeck @ 09:01 PM on 31 May 2009 • 1	10 points	0 Like 0 Dislike
370	Problem with Si Bulk bandstructure Proposed by Anonymous @ 10:08 AM on 25 Sep 2011 • 1	points	1 Like 0 Dislike
9	Expand materials to include CdTe Proposed by Neelanjan Bhattacharya @ 11:05 AM on 14 May 2009 • 2	points	1 Like 0 Dislike
452	multi layered nanowires Proposed by Sudha Mokkapati @ 08:39 PM on 30 Oct 2012 • 1	points	0 Like 0 Dislike
480	see source of the TB parameters Proposed by Michael Povolotskyi @ 10:22 AM on 10 Feb 2013 • 1	points	0 Like 0 Dislike
478	more materials Proposed by Michael Povolotskyi @ 10:12 AM on 10 Feb 2013 • 5	points	0 Like 0 Dislike
479	non-cubic materials Proposed by Michael Povolotskyi @ 10:16 AM on 10 Feb 2013 • 1	points	0 Like 0 Dislike
206	Please add the ability to strain in the r, theta and z directions for a circular NW Proposed by Sameer S Walavalkar @ 06:17 PM on 22 Mar 2010 • 0	points	0 Like 0 Dislike
30	bulk calculation improvements Proposed by Gerhard Klimeck @ 09:02 PM on 31 May 2009 • 5		1 Like 0 Dislike	Granted
42	include the DOS from the E(k) curves for a 1D Kronig Penny model Proposed by Ron Reifenberger @ 08:39 AM on 09 Jun 2009 • 3		1 Like 0 Dislike	Granted
498	problem with nanowire bandstructure Proposed by ronak abband @ 08:10 AM on 07 May 2013 • 2		0 Like 0 Dislike	Granted
8	Show “kx ky kz E” in final results Proposed by JUNG-PIAO, CHIU @ 11:03 AM on 14 May 2009 • 1		0 Like 0 Dislike	Granted
32	nanowire improvements Proposed by Gerhard Klimeck @ 09:03 PM on 31 May 2009 • 1		0 Like 0 Dislike	Withdrawn

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