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====== Assignment ====== | ====== Assignment ====== | ||
- | Calculate | + | 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, |
- | Write a **paper** that describes your findings. | + | Write a **paper** that describes your findings. |
- | Summarize your results as a **poster** for the group to be shown in the hour reserved for MT2. This is a conference of your peers, and may also be attended by interested parties such as former and prospective PH 575 students, and faculty. | + | Summarize your results as a **poster** for the group to be shown in the hour reserved for MT2. This is a conference of your peers, and may also be attended by interested parties such as former and prospective PH 575 students, and faculty. You should not go to great expense to generate the posters; 8.5” by 11” sheets pasted to thin poster board will be fine. The total size is limited to about half the size of a whiteboard in WGR 304. Text and diagrams should explain your calculations, |
+ | |||
+ | If you have questions, please ask! I will almost always email the whole class with my answer, or post the answers here under FAQ. | ||
====== FAQ ====== | ====== FAQ ====== | ||
=== Audience === | === Audience === | ||
- | You are writing a scientific article for an audience of your peers, say incoming PH575. | + | You are writing a scientific article for an audience of your peers, say incoming PH575 students. You and your peers are highly educated, technically savvy people, but you do not know everything about every material that has ever been discovered. |
- | === Expansion? | + | === Expansion? |
Here are some ideas that might stimulate your creativity | Here are some ideas that might stimulate your creativity | ||
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* study a family of materials | * study a family of materials | ||
* go beyond the standard " | * go beyond the standard " | ||
- | * choose a particularly | + | * choose a more challenging material (not recommended because this is often an all-or-nothing proposition). |
=== Collaboration or no? === | === Collaboration or no? === | ||
- | Teach each other to use Wien. Share tips on how to use the software, just as you would in a lab to show someone how to use a piece of equipment. | + | Teach each other to use the Wien basics. Share tips on how to use the software, |
- | Please do not perform the other person' | + | Talk to others to help point you to information, but don' |
+ | Please do not perform the other person' | ||
+ | |||
+ | Don't work together to construct your posters - the temptation to produce the same format is very strong. | ||
+ | |||
+ | === Length === | ||
+ | Depends somewhat on the choice of topic and how many figures you include. | ||
+ | |||
+ | === Posters === | ||
+ | You should not go to great expense to generate the posters; 8.5” by 11” sheets pasted to thin poster board will be fine. The total size is limited to about half the size of a whiteboard in WGR 304. But do pay attention to presentation and organization - don't just put up a slew of 8.5” by 11” sheets taped together. | ||
+ | |||
+ | You should use color - it makes a huge difference in crystal structures, band structures, DoS plots //etc//. | ||
+ | |||
+ | Why a poster as well as a paper? It's so that you can share your work with the other students and learn something from them, too. Science is about communicating ideas and results, so you need to practice that. So come up with something interesting to tell your peers. | ||
- | === Do === | ||
- | Explain terms | ||
=== Cautions === | === Cautions === | ||
Don't write a technical manual (“go to this menu, and click this button”). | Don't write a technical manual (“go to this menu, and click this button”). | ||
- | 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 ====== | ||
+ | |||
+ | |||
+ | ===== Amador, Jennie M. ===== | ||
+ | |||
+ | ===== Chen, Boxiao ===== | ||
+ | |||
+ | ===== Costa, Timothy B. ===== | ||
+ | |||
+ | ===== Dearmon, Howard D. ===== | ||
+ | |||
+ | ===== Decker, Shawn R. ===== | ||
+ | |||
+ | ===== Flynn, Joshua D. ===== | ||
+ | |||
+ | ===== Gicking, Allison M. ===== | ||
+ | |||
+ | ===== Gouliouk, Vasily ===== | ||
+ | |||
+ | ===== Heo, Jae Seok ===== | ||
+ | |||
+ | ===== Jennings, Michelle L. ===== | ||
+ | ===== Johnson, Brian H. ===== | ||
+ | ===== Kumar, Nitish ===== | ||
+ | |||
+ | ===== Marr, Timothy C. ===== | ||
+ | |||
+ | ===== Mason, Ashley D. ===== | ||
+ | |||
+ | ===== Nikkel, Jason W. ===== | ||
+ | ===== Oleksak, Richard P. ===== | ||
+ | ===== Sahu, Subin ===== | ||
+ | |||
+ | ===== Tennant, Christopher P. ===== | ||
+ | |||
+ | ===== Thompson, Zachary J. ===== | ||
+ | ===== Von Flotow, Andreas S. ===== | ||
+ | ===== Wardini, Jenna L. ===== | ||
+ | === Wills, Lindsay A. === | ||
+ | === Winter, Ian S. === | ||