TY  - EJOU
AU  - Xu, Z.  
AU  - Zhou, L. G.  
AU  - Wang, Jian  
AU  - Cale, Timothy S.  
AU  - Huang, Hanchen  

TI  - Three-dimensional Ehrlich-Schwoebel Barriers of W
T2  - Computers, Materials \& Continua

PY  - 2006
VL  - 3
IS  - 1
SN  - 1546-2226

AB  - Recent studies show that three-dimensional Ehrlich-Schwoebel (3D ES), or facet-facet, barriers of face-centered-cubic metals are substantially higher than other surface diffusion barriers. This paper presents the numerical results of 3D ES barriers for body-centered-cubic W, using classical molecular statics calculations and the nudged elastic band method. Results show that an adatom on W{110} has a diffusion barrier of 0.49 eV on the flat surface, 0.66 eV over a monolayer step, and 0.98 eV over a ridge to a neighboring {100} facet, which is one 3D ES barrier.
KW  - BCC
KW  -  W
KW  -  Diffusion barrier
KW  -  Ehrlich-Schwoebel

DO  - 10.3970/cmc.2007.003.043