Divacancy Binding Energy, Formation Energy and Surface Energy of bcc Alkali Metals Using MEAM Potential

Shweta Uniyal; Manesh Chand

doi:10.61343/jcm.v3i02.154

Authors

Shweta Uniyal Department of Physics, H.N.B. Garhwal University Campus, Badshahithaul, Tehri Garhwal, Uttarakhand, India
Manesh Chand Department of Physics, Swami Vivekananda College of Education, Roorkee, Uttarakhand, India

DOI:

https://doi.org/10.61343/jcm.v3i02.154

Keywords:

Modified embedded atom method, Phonon dispersions, Formation energy, Divacancy binding energy, Surface energy

Abstract

The Modified Embedded Atom Method (MEAM) potential parameters have been employed to calculate the unrelaxed divacancy formation energy, binding energy, and surface energies for low-index planes in body-centered cubic (bcc) alkali metals. The calculated divacancy binding energies and vacancy formation energies show good agreement with experimental data and other available computational results.

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