کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5396268 | 1392280 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Spectral function of the K/Si(1Â 1Â 1):B surface state: the bipolaronic CDW scenario
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Spectral function of the K/Si(1Â 1Â 1):B surface state: the bipolaronic CDW scenario Spectral function of the K/Si(1Â 1Â 1):B surface state: the bipolaronic CDW scenario](/preview/png/5396268.png)
چکیده انگلیسی
Very recently, new LEED, STM and ARPES measurements on the (1/3)ML K/Si(1Â 1Â 1):B interface have shed the light on the role of phonons and force to reconsider the nature of the ground state, formerly proposed to be a Mott insulator. In this paper, we present simulations of the one-electron spectral function A(E). These are based on the atomic Holstein-Hubbard model, which is relevant in the strong electron-phonon coupling limit. The exact spectral function has been analysed carefully with special attention on the gap behaviour as a function of the on-site repulsion. We show that the spectral funcion is the same for opposite values of the effective on-site repulsion. The observed reconstruction favours the negative-Ueff case, which corresponds to a bipolaronic charge-ordered ground state. Finally, the ARPES lineshape is reproduced correctly with fitting parameters in agreement with the literature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 181, Issue 1, July 2010, Pages 76-81
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 181, Issue 1, July 2010, Pages 76-81
نویسندگان
C. Tournier-Colletta, L. Cardenas, Y. Fagot-Revurat, B. Kierren, D. Malterre,