Lattice Dynamics and Lattice Mechanical Properties of Gold and Silver Using Parameter Free Pseudopotential

Authors K.G. Bhatia1,2, P.N. Gajjar2

1Department of Physics, L.J.I.E.T., L J University, Ahmedabad 382210 Gujarat, India

2Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009 Gujarat, India

Issue Volume 15, Year 2023, Number 1
Dates Received 15 December 2022; revised manuscript received 14 February 2023; published online 24 February 2023
Citation K.G. Bhatia, P.N. Gajjar, J. Nano- Electron. Phys. 15 No 1, 01012 (2023)
PACS Number(s) 72.15.Cz, 71.22. + i, 61.25.Mv
Keywords Pseudopotential (15) , Noble metals, Debye-Waller factor.

In the present communication, the local form of the pseudopotential is employed to study the lattice dynamics and some mechanical properties of the gold and silver lattice. We have treated pseudopotential parameters rc and rm as experimental radii to make present pseudopotential parameter-free and so our model does not require any adjustment of parameters. The computed results of phonon dispersion curves, Debye-Waller factor, mean square displacement, specific heat, isothermal bulk modulus and Debye temperature are reported for both metals. Our theoretical results are in accordance with experimental trend and overall good agreement is achieved when compared with available experimental findings.

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