Replying 'the comment on Interlayer interactions in graphites'

Autor:	Chen, Xiaobin, Tian, Fuyang, Persson, Clas, Duan, Wenhui, Chen, Nanxian
Rok vydání:	2014
Předmět:	Condensed Matter - Materials Science
Druh dokumentu:	Working Paper
Popis:	For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are in good agreement with experimental data. Although our fitting technique may weaken (not neglect) the vdW interactions and produce interlayer potentials with weakened vdW, the obtained interlayer potentials reproduce energetics of graphite near the equilibrium interlayer distance very well, as shown in Ref. \cite{Chen}. If having inputs which fully include vdW interactions and having better fitting functions, we believe that interlayer potentials can also fully include vdW interactions in graphite system. Comment: 4 pages 1 figure
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1407.3382 Zobrazit plný text záznamu View this record from Arxiv