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http://archive.cmb.ac.lk:8080/xmlui/handle/70130/3978| Title: | First-principles investigation of BaFe2As2(001) |
| Authors: | Profeta, G. Franchini, C. Gamalath, K.A.I.L.W. Continenza, A. |
| Issue Date: | 2010 |
| Citation: | Physical review B 82, 195407 (2010) |
| Abstract: | The structural, electronic, and magnetic properties of several different terminations of the BaFe2As2(001) surface are investigated by means of first-principles calculations. Analysis of the surface stability as a function of the chemical potentials reveals that the three possible terminations (As, full and half Ba coverage) can all be stabilized in different chemical-potential ranges. We determine the most stable structure in each case and study its magnetic and electronic properties. A study of the scanning tunnel microscope maps and work functions provides helpful insights for the interpretation of the still debated experimental findings. |
| URI: | http://archive.cmb.ac.lk:8080/xmlui/handle/70130/3978 |
| Appears in Collections: | Department of Physics |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| First-principles investigation of.....pdf | 85.4 kB | Adobe PDF | View/Open |
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