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papers [2012/03/28 12:03] – tatepapers [2012/05/16 14:13] – tate
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 ====== Paper/poster assignment (Midterm 2) ====== ====== Paper/poster assignment (Midterm 2) ======
  
-One of the goals of the course is to become familiar with modern computational software that allows one to solve difficult problems. You will use the software package Wien 2k to calculate the band structure of a semiconductor, metal, or insulator.  Decide on an interesting system (talk to me and others about what is feasible). You always start by reproducing the work of others, and then go on to explore by yourself.  More information about the program is under the Wien 2k link. You will calculate (at minimum for a passing grade) the dispersion relation and the total and partial densities of states of an interesting material. You will also calculate at least one other property using the Wien 2k advanced options – electron density, optical properties etc., for a B or higher grade. The difficulty of the project will be taken into account in assigning the grade. +One of the goals of the course is to become familiar with modern computational software that allows one to solve difficult problems. You will use the software package Wien 2k or Flair/Gem to calculate the band structure of a semiconductor, metal, or insulator.  Decide on an interesting system (talk to me and others about what is feasible). You always start by reproducing the work of others, and then go on to explore by yourself.  More information about the program is under the Wien 2k link. You will calculate (at minimum for a passing grade) the dispersion relation and the total and partial densities of states of an interesting material. You will also calculate at least one other property using the Wien 2k advanced options – electron density, optical properties etc., for a B or higher grade. The difficulty of the project will be taken into account in assigning the grade. 
  
 Write a **paper** that describes your findings.  It should state what you are trying to investigate and include motivation for the choice of material.   This paper should distill the knowledge you have gained about electronic structure, and be well-constructed to be very helpful to an incoming PH575 student. It will show evidence of your scientific curiosity, and your ability to explain the essential concepts.  It should should explain (i) what you have learned about band structure calculations during this process, and (ii) explain what is topical and interesting about your material in somewhat greater detail than you poster. Include references about both sub-parts. Write a **paper** that describes your findings.  It should state what you are trying to investigate and include motivation for the choice of material.   This paper should distill the knowledge you have gained about electronic structure, and be well-constructed to be very helpful to an incoming PH575 student. It will show evidence of your scientific curiosity, and your ability to explain the essential concepts.  It should should explain (i) what you have learned about band structure calculations during this process, and (ii) explain what is topical and interesting about your material in somewhat greater detail than you poster. Include references about both sub-parts.
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 Q. Can I study graphene? Q. Can I study graphene?
  
-A.  No.  The 2-d nature of graphene requires special symmetry that is too complex for a beginning project.+A.  The 2-d nature of graphene requires special symmetry that is too difficult for a beginning project in Wien.  Graphite is a better choice.  (You might be able to use Flair for graphene, but you must do a 3-d structure in addition to graphene if you go this route.)
  
 Q. Can I study conductivity as a function of temperature? Q. Can I study conductivity as a function of temperature?
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 ==== Amador, Jennie M. ==== ==== Amador, Jennie M. ====
 +==== Aspitarte, Lee R.====
 +graphene
 ==== Chen, Boxiao ==== ==== Chen, Boxiao ====
-==== Costa, Timothy B. ====+graphene
 ==== Dearmon, Howard D. ==== ==== Dearmon, Howard D. ====
 +diamond structure compared to the graphite structure
 +
 ==== Decker, Shawn R. ==== ==== Decker, Shawn R. ====
 +hexagonal BN
 +
 ==== Flynn, Joshua D. ==== ==== Flynn, Joshua D. ====
-==== Gicking, Allison M. ==== 
 ==== Gouliouk, Vasily ==== ==== Gouliouk, Vasily ====
 ==== Heo, Jae Seok ==== ==== Heo, Jae Seok ====
 +CuInSe and related materials
 +
 ==== Jennings, Michelle L. ==== ==== Jennings, Michelle L. ====
 ==== Johnson, Brian H. ==== ==== Johnson, Brian H. ====
 +2d LiF?
 +
 ==== Kumar, Nitish ==== ==== Kumar, Nitish ====
-==== Marr, Timothy C. ====+compare 2 different structures possible for barium titanate 
 + 
 +==== Lund, Ryan A.==== 
 +==== Mansell, Michael A.==== 
 ==== Mason, Ashley D. ==== ==== Mason, Ashley D. ====
 +PbZrO3 
 +
 ==== Nikkel, Jason W. ==== ==== Nikkel, Jason W. ====
 ==== Oleksak, Richard P. ==== ==== Oleksak, Richard P. ====
 ==== Sahu, Subin ==== ==== Sahu, Subin ====
 ==== Tennant, Christopher P. ==== ==== Tennant, Christopher P. ====
-==== Thompson, Zachary J. ==== +ZnO 
-==== Von Flotow, Andreas S. ====+ 
 +==== Vowell, Schuyler R.==== 
 +compare the band structure, DoS, and Fermi surface, of copper (and perhaps Ag and Au) to the FEG model 
 ==== Wardini, Jenna L. ==== ==== Wardini, Jenna L. ====
 +Graphite
 +
 ==== Wills, Lindsay A. ==== ==== Wills, Lindsay A. ====
 ==== Winter, Ian S. ==== ==== Winter, Ian S. ====
  

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