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papers [2011/04/27 17:14] – tate | papers [2011/05/01 12:29] – tate | ||
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Beware of the "true statements" | Beware of the "true statements" | ||
+ | ===== Questions from class re the project ===== | ||
+ | Q. How do I know my band structure is right? | ||
+ | |||
+ | A. Look in the literature - someone else is bound to have calculated it. Results will vary a bit with different methods used. Remember to reference others' | ||
+ | |||
+ | Q. My material has 80 atoms per unit cell - that OK? | ||
+ | |||
+ | A. 80 atoms is too big for our system, but there may be some symmetry that allows a smaller cell to be used and Wien will find it. So try it and see. If it's too big, you'll use all the memory and tie up the system so no one can use it. Not good! | ||
+ | |||
+ | Q. Can I study doping, (eg B-doped Si) or solid solutions like ZnS_(1-y)Se_y? | ||
+ | |||
+ | A. No, it's best to stay away from these because you will need a much larger unit cell. This is because if you replace say 1% of Si with P, you will need 100 unit cells (99 with Si and 1 with P) to define the basic unit. Refer to the question above. | ||
+ | |||
+ | Q. Can I study graphene? | ||
+ | |||
+ | A. No. The 2-d nature of graphene requires special symmetry that is too complex for a beginning project. | ||
+ | |||
+ | Q. Can I study conductivity as a function of temperature? | ||
+ | |||
+ | A. No. All calculations are inherently T=0 calculations. | ||
+ | |||
+ | Q. Can I study magnetic properties? | ||
+ | |||
+ | A. There is an option to include spin polarization. | ||
+ | |||
+ | ====== Class projects ====== | ||
+ | |||
+ | ===== Altschul, Emmeline ===== | ||
+ | audit - no project | ||
+ | |||
+ | ===== Ansell, Troy ===== | ||
+ | PZT? | ||
+ | |||
+ | ===== Dearmon, Howard ===== | ||
+ | Group IV semiconductors? | ||
+ | |||
+ | ===== Gatimu, Alvin ===== | ||
+ | audit - no project | ||
+ | |||
+ | ===== Gifford, Jessica ===== | ||
+ | SiC including optical propoerties | ||
+ | |||
+ | ===== Girgel, Ionut ===== | ||
+ | GaN, AlN, InN, optoelectronics | ||
+ | |||
+ | ===== Grollman, Rebecca ===== | ||
+ | GaAs and related solar absorbers | ||
+ | |||
+ | ===== Gross, Jonah ===== | ||
+ | |||
+ | ===== Gruss, Daniel ===== | ||
+ | NbN and related superconductors and IR detectors | ||
+ | |||
+ | ===== Krebs, Eric ===== | ||
+ | Ag, and other metals? | ||
+ | |||
+ | ===== Lampert, Nicholas ===== | ||
+ | InSb, InMnSb? | ||
+ | |||
+ | ===== Landau, Nicholas ===== | ||
+ | |||
+ | ===== Laurita-Plankis, | ||
+ | |||
+ | ===== Maizy, Louis ===== | ||
+ | ===== Oostman, Matthew ===== | ||
+ | TiO2 - rutile & anatase | ||
+ | |||
+ | ===== Paul, Michael ===== | ||
+ | |||
+ | ===== Saltzgaber, Grant ===== | ||
+ | HgTe - topological insulator | ||
+ | |||
+ | ===== Schulte, Jeffery ===== | ||
+ | SiO2 | ||
+ | |||
+ | ===== Smith, Sean ===== | ||
+ | ZnO, SnO2, Zn2SnO4 | ||
+ | |||
+ | ===== Waite, Rachel ===== | ||
+ | BiCuOSe and related materials | ||