Elastic and thermodynamic properties of zincblende CdSe nanocrystals
Vol. 132 No. 1A (2023), Original Article
Vol. 132 No. 1A (2023)

Elastic and thermodynamic properties of zincblende CdSe nanocrystals

Original Article
https://doi.org/10.26459/hueunijns.v132i1A.6955
Published 2023-03-31
Tran Thanh Thuan
Department of Physics, University of Education, Hue University, 34 Le Loi St., Hue, Vietnam
Lam Thi Bich Tran
Gia Lai Junior College of Education , Vietnam
Nguyen Minh Hoa*
University of Medicine and Pharmacy, Hue University, 6 Ngo Quyen St., Hue, Vietnam
http://orcid.org/0000-0002-8257-6032
PDF (Vietnamese)

Keywords

nanocrystals
CdSe
thermodynamic
DFT
NC

How to Cite

1.
Trần TT, Lâm TBT, Nguyễn MH. Elastic and thermodynamic properties of zincblende CdSe nanocrystals. hueuni-jns [Internet]. 2023Mar.31 [cited 2024Nov.14];132(1A):49-54. Available from: http://222.255.146.83/index.php/hujos-ns/article/view/6955
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Abstract

The elastic and thermodynamic of zincblende CdSe nano crystals have been investigated by first-principles calculations based on density functional theory (DFT). The type of CdSe structure was optimized from the experimental parameter values. The mechanic characterization was determined based on the computed values of independent elastic constants C11, C12, and C44. The temperature dependence of a series of thermodynamic properties functions such as free energy, entropy, enthalpy, and heat capacity are calculated and analyzed in detail.

https://doi.org/10.26459/hueunijns.v132i1A.6955
PDF (Vietnamese)

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