Ab initio evidence of extraordinary low-energy collective charge-density excitations in MgB.pdf

下载文档

3
0
约2万字
约 5页
2017-04-13 发布于江苏
举报
版权申诉
保障服务

Ab initio evidence of extraordinary low-energy collective charge-density excitations in MgB.pdf

1、本文档共5页，可阅读全部内容。
2、原创力文档（book118）网站文档一经付费（服务费），不意味着购买了该文档的版权，仅供个人/单位学习、研究之用，不得用于商业用途，未经授权，严禁复制、发行、汇编、翻译或者网络传播等，侵权必究。
3、本站所有内容均由合作方或网友上传，本站不对文档的完整性、权威性及其观点立场正确性做任何保证或承诺！文档内容仅供研究参考，付费前请自行鉴别。如您付费，意味着您自己接受本站规则且自行承担风险，本站不退款、不进行额外附加服务；查看《如何避免下载的几个坑》。如果您已付费下载过本站文档，您可以点击这里二次下载。
4、如文档侵犯商业秘密、侵犯著作权、侵犯人身权等，请点击“版权申诉”（推荐），也可以打举报电话：400-050-0827(电话支持时间：9:00-18:30)。

Ab initio evidence of extraordinary low-energy collective charge-density excitations in MgB

a r X i v : 0 8 0 5 .1 5 5 8 v 1 [ c o n d - m a t .s u p r - c o n ] 1 1 M a y 2 0 0 8 Ab initio evidence of extraordinary low-energy collective charge-density excitations in MgB2 V. M. Silkin,1,2 A. Balassis,3 P. M. Echenique,1,2 and E. V. Chulkov1,2 1Dept. de F??sica de Materiales and Centro Mixto CSIC–UPV/EHU, Facultad de Ciencias Qu??micas, Universidad del Pa??s Vasco, Apdo. 1072, 20080 San Sebastia?n, Basque Country, Spain 2Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastia?n, Basque Country, Spain 3Departament of Physics and Astronomy, Hunter College at the City University of New York, 695 Park Avenue, New York 10021, USA (Dated: May 11, 2008) We present ab initio time-dependent density-functional theory calculation results for low-energy collective electron excitations in MgB2. It is demonstrated the existence of a long-lived collective excitation corresponding to coherent charge density fluctuations between the boron σ- and π- bands (σπ mode). This mode has a sine-like oscillating dispersion for energies below 0.5 eV. At even lower energy we find another collective mode (σσ mode). We show the strong impact of local-field effects on dielectric functions in MgB2. These effects account for the long q-range behavior of the modes. We discuss the physics that these novel collective excitations bring in the energy region typical for lattice vibrations. PACS numbers: 71.45.Gm,73.43.Lp,74.70.Ad After several years of intense experimental and theo- retical study of the origin of unusually high temperature superconductivity1 in MgB2, nowadays there is a gen- eral belief that the superconductivity in MgB2 is phonon- mediated with multiple gaps and exceptional role played by E2g phonon modes in strong coupling to electrons in the tubular-shaped σ bands at the Fermi level, EF . How- ever, despite the tremendous progress achieved in un- derstanding of superconductivity in MgB2, many of its fundamental properties related to