1 / 7

Worked Examples for Periodic Potential Lab

Worked Examples for Periodic Potential Lab. Abhijeet Paul, Gerhard Klimeck, Ben Haley, SungGeun Kim, and Lynn Zentner NCN@Purdue. Simulation Example [1] :Variation of well width. Task : Study the effect of W on electronic band-structure. Input details : Well Type : Step well a = 1 Ǻ

ollie
Download Presentation

Worked Examples for Periodic Potential Lab

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Worked Examples forPeriodic Potential Lab Abhijeet Paul, Gerhard Klimeck, Ben Haley, SungGeun Kim, and Lynn Zentner NCN@Purdue

  2. Simulation Example [1] :Variation of well width Task : Study the effect of W on electronic band-structure Input details : Well Type : Step well a = 1 Ǻ W = [2 , 4, 6, 8, 10] Ǻ mpar = 1*mo Vmin = 0 eV Vmax = 10 eV Epar = [0-12] eV E_sample_pts = 100 This problem is similar to particle in a box with periodic boundary conditions. All images from Periodic Potential Lab on nanoHUB.org

  3. Simulation Example [1] :Variation of well width Real solution variation with well width W. What is expected ? W=4 • As W increases E decreases. • More energy bands expected in the well. W=2 F(E) [unitless] W=8 W=6 W=10 mo = 9.1e-31kg Energy[eV]

  4. Simulation Example [2] :Variation of well width Lowest energy band for different well widths. E(min) ~ 1/W2 Bandwidth W=2 W=10 W=4 W=6 W=8 Table showing some of the important band parameters All images from Periodic Potential Lab on nanoHUB.org

  5. Simulation Example [3] :Variation in particle mass Task : Study the effect of mpar on electronic band-structure Input details : Well Type : Step well a = 1 Ǻ W = 8 Ǻ mpar = [0.25,0.5,1,1.5,2]*mo Vmin = 0 eV Vmax = 10 eV Epar = [0-12] eV E_sample_pts = 100 All images from Periodic Potential Lab on nanoHUB.org

  6. Simulation Example [3] :Variation in particle mass Real solution variation with well width W. mpar =0.25 mpar =0.5 mpar =1.0 Heavy particles move slowly through the barrier and hence produce more bands in the well. Also the energy minimum gets smaller. mpar =1.5 mpar =2.0 More bands for heavier mass. mo = 9.1e-31kg

  7. Simulation Example [3] :Variation in particle mass m=2.0 m=1.5 m=1.0 m=0.50 m=0.25 Table showing some of the important band parameters Transmission of a particle through the well. A heavier particle has limited transmission. A lighter particle easily passes through the barrier. All images from Periodic Potential Lab on nanoHUB.org

More Related