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In the cases of silicon and germanium, Baskes et al. modified the EAM by taking the bonding directionality into consideration [78,79]. The host electron density in the modified version includes the angular dependent contributions, and this model is called modified EAM (MEAM). Baskes et al. attempted to reproduce bulk properties and surface phenomena of various metals and semiconductors with fcc, bcc, hexagonal close packed (hcp), as well as diamond structures, using the uniform potential. In fact, the simulated results show that the MEAM provides good descriptions of bulk and surface properties of bcc metals, semiconductors and their alloys.
The simulated model is shown in detail in Figure 4. The bulk liquid phase A is separated into two liquid subsystems with equal volumes. During this process, two surfaces are created and the change of total free energy is equal to the sum of the surface energy of the two surfaces. The work of the cohesion WAA is defined as the work required to pull the liquid bulk system A apart, thus 2ff7e9595c