A density functional theory research on Cs–O activation process of GaAlAs photocathodes

作者: Xiaohua Yu

DOI: 10.1007/S10853-016-0103-5

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摘要: Using plane-wave ultrasoft pseudopotential based on first-principles, the Cs–O activation process of GaAlAs photocathodes is investigated. In alternate process, unit inclined to form Cs-outer structure. After adsorption O atom, additional atoms weaken dipole between Cs and β 2 (2 × 4) surface introduce O. Dual-dipole model used express variation tendency moment work function. During electrons offset surface, at cause n-type state, result in downwards band bending; same time, vacuum level gradually lowered, forming two potential barriers. An experiment performed photocurrent curve well consistent with calculation results. Zn doping, function near lower than surrounding, causing scale-like effect.

参考文章(32)
A Bouhemadou, K Haddadi, S Bin-Omran, R Khenata, Y Al-Douri, S Maabed, None, Structural, elastic, electronic and optical properties of the quaternary nitridogallate LiCaGaN2: First-principles study Materials Science in Semiconductor Processing. ,vol. 40, pp. 64- 76 ,(2015) , 10.1016/J.MSSP.2015.06.021
C. Y. Su, W. E. Spicer, I. Lindau, Photoelectron spectroscopic determination of the structure of (Cs,O) activated GaAs (110) surfaces Journal of Applied Physics. ,vol. 54, pp. 1413- 1422 ,(1983) , 10.1063/1.332166
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Xiaohua Yu, Benkang Chang, Xinlong Chen, Yuan Xu, Honggang Wang, Meishan Wang, Cs adsorption on Ga0.5Al0.5As(0 0 1)β2 (2 × 4) surface: A first-principles research Computational Materials Science. ,vol. 84, pp. 226- 231 ,(2014) , 10.1016/J.COMMATSCI.2013.12.015
A. L. Rosa, J. Neugebauer, First-principles calculations of the structural and electronic properties of clean GaN (0001) surfaces Physical Review B. ,vol. 73, pp. 205346-1- 205346-13 ,(2006) , 10.1103/PHYSREVB.73.205346
E Bakir Kandemir, B Gönül, GT Barkema, KM Yu, W Walukiewicz, LW Wang, None, Modeling of the atomic structure and electronic properties of amorphous GaN1−xAsx Computational Materials Science. ,vol. 82, pp. 100- 106 ,(2014) , 10.1016/J.COMMATSCI.2013.09.039
Tomohiro Nishitani, Masao Tabuchi, Yoshikazu Takeda, Yuji Suzuki, Kazuya Motoki, Takashi Meguro, High-Brightness Spin-Polarized Electron Source Using Semiconductor Photocathodes Japanese Journal of Applied Physics. ,vol. 48, pp. 06FF02- ,(2009) , 10.1143/JJAP.48.06FF02
Ramon U. Martinelli, M. Ettenberg, Electron transport and emission characteristics of negative electron affinity AlxGa1−xAs alloys (0≤x≤0.3) Journal of Applied Physics. ,vol. 45, pp. 3896- 3898 ,(1974) , 10.1063/1.1663882
Warren E. Pickett, Pseudopotential methods in condensed matter applications Computer Physics Reports. ,vol. 9, pp. 115- 197 ,(1989) , 10.1016/0167-7977(89)90002-6