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papers [2011/04/27 17:14] tatepapers [2011/05/02 13:02] tate
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   * study a family of materials   * study a family of materials
   * go beyond the standard "default clicks" in Wien to explore something you found interesting   * go beyond the standard "default clicks" in Wien to explore something you found interesting
-  * choose a particularly challenging material (not recommended because this is often an all-or-nothing proposition).+  * choose a more challenging material (not recommended because this is often an all-or-nothing proposition).
  
 === Collaboration or no? === === Collaboration or no? ===
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 Please do not perform the other person's calculation.  Help him or her with specific calculational problems, but don't define the goals of the assignment for the other person.  Please do not perform the other person's calculation.  Help him or her with specific calculational problems, but don't define the goals of the assignment for the other person. 
  
-Don't work together to construct your posters - the temptation to produce the same format is very strong.  This is your poster.  But tell each where to buy poster materials or how to get access to good printing etc.+Don't work together to construct your posters - the temptation to produce the same format is very strong.  This is your poster.  But critique someone's poster and offer advice if asked. Tell each where to buy poster materials or how to get access to good printing //etc//   
  
 === Length, etc. === === Length, etc. ===
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 Beware of the "true statements" trap. Just because you say true things does not mean a paper is well constructed or a valuable learning tool.  You may have gleaned a piece of information from a well-respected paper in a reputable journal, but quoting that authority without integrating the information into the flow and design of your paper is not helpful (looks just like name dropping!). Also, don’t consider me in particular as a target reader (in the sense that I know what you have been taught).  I may well give the paper (with no name) to a faculty colleague or a senior grad student as a check to see whether that person thinks the paper is well constructed. Beware of the "true statements" trap. Just because you say true things does not mean a paper is well constructed or a valuable learning tool.  You may have gleaned a piece of information from a well-respected paper in a reputable journal, but quoting that authority without integrating the information into the flow and design of your paper is not helpful (looks just like name dropping!). Also, don’t consider me in particular as a target reader (in the sense that I know what you have been taught).  I may well give the paper (with no name) to a faculty colleague or a senior grad student as a check to see whether that person thinks the paper is well constructed.
  
 +===== 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' work in your report.
 +
 +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.  There are no excitations of the system included.
 +
 +Q. Can I study magnetic properties?
 +
 +A.  There is an option to include spin polarization, which should allow you to determine whether a material is magnetic or not in its ground state.  
 +
 +====== Class projects ======
 +
 +===== Altschul, Emmeline =====
 +audit - no project
 +
 +===== Ansell, Troy =====
 +PZT?
 +
 +===== Dearmon, Howard =====
 +Carbon - diamond and graphite
 +
 +===== 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 =====
 +Fe, Co, and Ni magnetic materials
 +
 +===== Gruss, Daniel =====
 +NbN and related superconductors and IR detectors
 +
 +===== Krebs, Eric =====
 +Ag, and other metals?
 +
 +===== Lampert, Nicholas =====
 +InSb, InMnSb?
 +
 +===== Landau, Nicholas =====
 +
 +===== Laurita-Plankis, Geneva =====
 +AgSbO3 and related transparent conducting oxides and photocatalytic materials
 +
 +===== Maizy, Louis =====
 +zinc telluride 
 +
 +===== Oostman, Matthew =====
 +TiO2 - rutile & anatase
 +
 +===== Paul, Michael =====
 +
 +===== Saltzgaber, Grant =====
 +HgTe - topological insulator
 +
 +===== Schulte, Jeffery =====
 +SiO2
 +
 +===== Smith, Sean =====
 +ZnO, SnO2, Zn2SnO4 transparent conductors
 +
 +===== Waite, Rachel =====
 +BiCuOSe and related p-type semiconductors
  

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