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基于第一性原理计算的石墨烯角分辨光电子能谱。

Angle-resolved photoemission spectra of graphene from first-principles calculations.

机构信息

Department of Physics, University of California at Berkeley, Berkeley, California 94720, USA.

出版信息

Nano Lett. 2009 Dec;9(12):4234-9. doi: 10.1021/nl902448v.

Abstract

Angle-resolved photoemission spectroscopy (ARPES) is a powerful experimental technique for directly probing electron dynamics in solids. The energy versus momentum dispersion relations and the associated spectral broadenings measured by ARPES provide a wealth of information on quantum many-body interaction effects. In particular, ARPES allows studies of the Coulomb interaction among electrons (electron-electron interactions) and the interaction between electrons and lattice vibrations (electron-phonon interactions). Here, we report ab initio simulations of the ARPES spectra of graphene including both electron-electron and electron-phonon interactions on the same footing. Our calculations reproduce some of the key experimental observations related to many-body effects, including the indication of a mismatch between the upper and lower halves of the Dirac cone.

摘要

角分辨光电子能谱(ARPES)是一种强大的实验技术,可用于直接探测固体中的电子动力学。ARPES 测量的能量与动量色散关系和相关的谱展宽提供了大量关于量子多体相互作用效应的信息。特别是,ARPES 允许研究电子之间的库仑相互作用(电子-电子相互作用)和电子与晶格振动之间的相互作用(电子-声子相互作用)。在这里,我们报告了包括电子-电子和电子-声子相互作用在内的石墨烯 ARPES 谱的从头算模拟。我们的计算再现了一些与多体效应相关的关键实验观察结果,包括狄拉克锥上下半部分不匹配的迹象。

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