Anisotropy analysis of the surface energy of diamond cubic crystals

Abstract

The surface energies for 24 surfaces of diamond structure cubic crystals of C, Si and Ge have been calculated using the modified embedded-atom method. The results show that the three lowest surface energies correspond to the (111), (211) and (433) surfaces. Considering surface energy minimization solely, the (111), (211) and (433)

Competition between surface energy and interphase energy in transition region and diameter-dependent orientation of silicon nanowires

“…The liquid-solid interphase energy density g ls can be determined according to Young's equation [24], Àg gl cos u þ g ls À g hkl can be evaluated from g 110 gs ¼ 1:536 J m À2 [26]. The width of the transition region is an adjustable parameter to which the results are closely related.…”

“…Inserting g gl = 0.85 J m À2[25], u = 1378[24], and g 111 gs ¼ 1:254 J m À2[26] into Eq. (5), we have g 111 ls ¼ 0:6323 J m À2 .…”

Revising morphology of 〈111〉-oriented silicon and germanium nanowires

“…The latter fact can affect values of calculated surface energy. Moreover, another estimates of surface energies for the Si(112) and Ge(112) surfaces with respect to the other surfaces have been done by the modified embedded atom method [18]. However, in such calculations neither structural optimization nor surface reconstruction has been performed [18].…”

Accommodation of Lattice Misfit in Semiconductor Heterostructure Nanowires

“…The surface free energy is assumed to be c ¼ 1:5 J=m 2 and the surface stress t ¼ 1:0 N=m [50,51]. The first thing to notice in Figure 5.4 is that (going from left to right) the stability parameter S of n ¼ 0 is zero in the limit q !…”