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atk:neb方法研究pt在pt表面的扩散

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atk:neb方法研究pt在pt表面的扩散 [2016/11/02 16:59] – [前言] dong.dongatk:neb方法研究pt在pt表面的扩散 [2016/11/02 18:39] – [参考文献] dong.dong
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 =====参考文献===== =====参考文献=====
- +  * [1] G.L. Kellog and P.J. Feibelman “Surface Self-Diffusion on Pt(001) by an Atomic Exchange Mechanism” Phys. Rev. Lett. 64, 3143 (1990) PhysRevLett.64.3143 
-[1] G.L. Kellog and P.J. Feibelman “Surface Self-Diffusion on Pt(001) by an Atomic Exchange Mechanism” Phys. Rev. Lett. 64, 3143 (1990) PhysRevLett.64.3143 +  [2] P.J. Feibelman “Surface-diffusion mechanism versus electric field: Pt/Pt(001)” Phys. Rev. B 64, 125403 (2001) PhysRevB.64.125403 
- +  [3] X.W. Zhou, et al. “Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers” Phys. Rev. B 69, 144113 (2004) PhysRevB.69.144113 
-[2] P.J. Feibelman “Surface-diffusion mechanism versus electric field: Pt/Pt(001)” Phys. Rev. B 64, 125403 (2001) PhysRevB.64.125403 +  [4] Smidstrup et al. “Improved initial guess for minimum energy path calculations” J. Chem. Phys. 140, 214106 (2014)  
- +  * 英文教程原文:http://docs.quantumwise.com/tutorials/neb_pt.html
-[3] X.W. Zhou, et al. “Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers” Phys. Rev. B 69, 144113 (2004) PhysRevB.69.144113 +
- +
-[4] Smidstrup et al. “Improved initial guess for minimum energy path calculations” J. Chem. Phys. 140, 214106 (2014) link+
atk/neb方法研究pt在pt表面的扩散.txt · 最后更改: 2018/03/20 22:21 由 liu.jun

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