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| info [2012/03/27 12:10] – tate | info [2012/03/27 12:15] – tate |
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| ===== Computation of band structure (Midterm 2) ===== | ===== Computation of band structure (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. More information about the program is under the [[wien|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. The poster should also include a discussion of why the material is interesting and topical and some of its properties. Include references to recent literature. | 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. More information about the program is under the [[wien|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. You will write a paper for, and present a poster at, a "mini conference" to be held in class. |
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| You will present the results of your computation at a poster session in the Midterm 2 time slot. 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, and provide supplementary information about your material. In the poster session, half the class will remain with the poster for the first half while the other half circulate; roles are swapped for the second half. As a courtesy, I will invite your advisors and/or representatives of your department to the poster session. | You will present the results of your computation at a poster session in the Midterm 2 time slot. 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, and provide supplementary information about your material. In the poster session, half the class will remain with the poster for the first half while the other half circulate; roles are swapped for the second half. As a courtesy, I will invite your advisors and/or representatives of your department to the poster session. |
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| The idea is to take this project as far as you can beyond the minimum specified above. You will need to decide on an interesting system to calculate (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. You'll learn much about the system you have chosen, so present these findings. You will also turn in a 3-5 page summary of the project, stressing the intellectual content. This summary 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. | You will also present a paper at the conference. The idea is to take this project as far as you can beyond the minimum specified above. You will 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. You'll learn much about the system you have chosen, so present these findings, stressing the intellectual content. This paper 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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| ===== Course Outcomes ===== | ===== Course Outcomes ===== |
