Thermal conductivity of ZnSe by molecular dynamics simulation by A. K. Balasubramanian, N. Sankar, S. K. Ramakrishnan, and K. Ramachandran

Crystal Research and Technology

Cryst. Res. Technol. 39, 558 (2004) - Abstract -

Thermal conductivity of ZnSe by molecular dynamics simulation

A. K. Balasubramanian, N. Sankar*, S. K. Ramakrishnan**, and K. Ramachandran***

Department of Physics, Sourashtra College, Madurai-4, India
*Department of Physics, Yadava College, Madurai-14, India
**Department of Chemistry, Thiagarajar College, Madurai-9, India
***School of Physics, Madurai Kamaraj University, Madurai-21, India

Keywords	thermal conductivity, ZnSe
PACS	65.90.+I, 78.20.-e, 78.20.Bh, 78.20.HP
DOI	10.1002/crat.200310224

Molecular dynamics simulation using the new fit of the empirical Tersoff Potential is applied to study the thermal properties of ZnSe at and below the room temperature. The resulting diffusivity and thermal conductivity are compared with the photoacoustic measurements on the grown ZnSe crystal.

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