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A modified embedded-atom method interatomic potential for indium

Author:
Eun Cheol Do   Young-Han Shin   Byeong-Joo Lee  


Journal:
Calphad


Issue Date:
2008


Abstract(summary):

A semi-empirical interatomic potential for indium has been developed based on the MEAM (modified embedded-atom method) formalism. The potential describes various fundamental physical properties (cohesive energy, lattice parameters, elastic constants, structural energy differences, surface energy and relaxation, vacancy formation and diffusion energy, etc.) of indium in good agreement with relevant experimental data and/or first-principles calculations. The potential also describes bulk properties of non-equilibrium structures (fcc and bcc) of indium in good agreement with first-principles calculations. Because the potential formalism is exactly the same as other previously developed MEAM potentials for a wide range of elements, it can be easily extended to multi-component systems such as In-N, In-As, Ga-In and Ga-In-N.[All rights reserved Elsevier].


Page:
0-88


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