Debye Temperatures of Transition Metal Diborides TMB2 (TM= Ti, Zr, Os, Nb, Ru) Under Pressure

Abstract

The modern scientific and technical revolution is responsible for increasing interest and impetus in the search for materials possessing specific and desired properties. Today, the transition metal diborides (TMB2) are of great interest because they have been found to possess unique physical and chemical properties. As an important physical quantity, the Debye temperature is closely related to the elastic constants, specific heat and melting point. Through the quasi harmonic Debye model, the dependency of Debye temperature on pressure P for various transition metal diborides is successfully obtained. The obtained results are consistent with the available theoretical results.

Keywords

• TMB2
• Debye temperature
• quasi harmonic Debye model

References

1. W. D. Callister, Materials Science and Engineering: An Introduction, 7th Ed. New York: Wiley & Sons, 2007.
2. V. de Walle, G. Ceder, “The effect of lattice vibrations on substitutional alloy thermodynamics,” Rev. Mod. Phys., 74, 11–45, 2002.
3. J. Hafner, “Atomic-scale computational materials science,’’ Acta Materialia., 48, 71–92, 2000. ӨD