First principle calculation of missing-row reconstructed (110) surfaces of noble metals
The purpose of this thesis is to calculate the surface energy for the (1 x n) reconstructed (110) surfaces of noble metals. The calculation was done using a code called VASP (Vienna Ab-initio Simulation Package). The code uses the Density Functional Theory to study the electronic structures of mater...
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DigitalCommons@Robert W. Woodruff Library, Atlanta University Center
2001
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| Online Access: | http://digitalcommons.auctr.edu/dissertations/3771 http://digitalcommons.auctr.edu/cgi/viewcontent.cgi?article=5294&context=dissertations |