| | Visualization of various data plays an important role in physical sciences and elsewhere. Electronic structure data are essential to the understanding of the properties of materials, and their calculation forms a demanding computational task of condensed matter physics and quantum chemistry. A useful graphical representation is energy dispersion of crystalline solids, also known as band structure plots. In certain calculations it is necessary to use the supercell approach which, however, results in folded and thus complicated band structures. In this talk, we discuss a recent method of band structure unfolding which can produce more useful plots, and explain our approach to visualization of the unfolded bands.
Seminar Speaker:
Dr.Mani Farjam
Date :
9 Jan. 2014
Time :
11:00 - 12:30 | |
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