|Prediction of superconductivity of Ta2AlC: in situ Raman spectrometry and density functional investigations|
|H. M. Xiang; J. M. Wang; Y. Chen; J. Y. Wang; Y. C. Zhou
|Source Publication||Journal of Raman Spectroscopy
|Abstract||In this paper, in situ Raman spectra of Ta2AlC are measured in the temperature range of 80-500 K at ambient pressure. The frequencies of the Raman modes decrease with increasing temperature, which have been explained by the anharmonic and thermal expansion effects. The line-width of E-2g ((3)) mode increases at elevated temperatures, which is found to be due to the anharmonic phonon-phonon scatterings. On the other hand, the line-widths of E-2g ((1)) and A(1g) ((4)) modes decrease continuously with increasing temperature, which is explained by the electron-phonon couplings of these two phonon modes with the Ta 5d electrons. The electron-phonon coupling strengths are obtained both in experiments and density functional calculations. Finally, Ta2AlC is predicted to be a new superconductive MAX phase. Copyright (c) 2014 John Wiley & Sons, Ltd.|
; wang, jiemin
; wang, jingyang] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [chen, yue] columbia univ, dept appl phys & appl math, new york, ny 10027 usa. [zhou, yanchun] aerosp res inst mat & proc technol, sci & technol adv funct composite lab, beijing 100076, peoples r china.
; chen, y (reprint author), columbia univ, dept appl phys & appl math, new york, ny 10027 usa.
H. M. Xiang,J. M. Wang,Y. Chen,et al. Prediction of superconductivity of Ta2AlC: in situ Raman spectrometry and density functional investigations[J]. Journal of Raman Spectroscopy,2014,45(2):202-207.
H. M. Xiang,J. M. Wang,Y. Chen,J. Y. Wang,&Y. C. Zhou.(2014).Prediction of superconductivity of Ta2AlC: in situ Raman spectrometry and density functional investigations.Journal of Raman Spectroscopy,45(2),202-207.
H. M. Xiang,et al."Prediction of superconductivity of Ta2AlC: in situ Raman spectrometry and density functional investigations".Journal of Raman Spectroscopy 45.2(2014):202-207.
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