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Author:

Ali, Shabir (Ali, Shabir.) | Wang, Xinhua (Wang, Xinhua.) | Rasool, Ghulam (Rasool, Ghulam.) | Ali, Amjad (Ali, Amjad.) | Ali, Rawaid (Ali, Rawaid.) | Naveed-ur-Rehman (Naveed-ur-Rehman.) | Razzaq, Izzat (Razzaq, Izzat.)

Indexed by:

SCIE

Abstract:

The optical and thermodynamic properties of aluminum oxide (Al2O3) were investigated through the density functional theory. In this paper, to examine the structural parameters the GGA-PBEsol potential was used. The Becke-Johnson (TB-mBJ) potential was applied to estimate the optical properties, and the Gibbs2 code was used to examine the thermodynamic behavior of Al2O3. The optical analysis shows that the optical properties were improved and the spectrum red-shifted occurs under high pressure. The thermodynamics behavior of the Al2O3 in temperatures ranging from 0K to 1400K and the pressure ranging from 0GPa to 60GPa were achieved using the quasi-harmonic Debye model to elucidate the relationships between thermodynamic parameters and temperature under variant pressure. The results show that the optical and thermodynamic properties of Al2O3 are significantly improved under high pressure. This enhancement suggests that Al2O3 could be used more effectively in many industrial applications, including high-performance ceramics, thermal barrier coatings and as an optical material in devices such as lasers and sensors. In addition, the findings provide important insights into the behavior of Al2O3 compounds under high-pressure environments, which could enhance material design procedures for advanced technologies.

Keyword:

pressure thermodynamic properties temperature First-principles study Al2O3 optical properties

Author Community:

  • [ 1 ] [Ali, Shabir]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Wang, Xinhua]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Ali, Amjad]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Razzaq, Izzat]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Rasool, Ghulam]Prince Mohammad Bin Fahd Univ, Coll Engn, Dept Mech Engn, POB 1664, Al Khobar 31952, Saudi Arabia
  • [ 6 ] [Ali, Rawaid]Yunnan Normal Univ, Coll Phys & Elect Informat, Kunming 650500, Yunnan, Peoples R China
  • [ 7 ] [Naveed-ur-Rehman]Bacha Khan Coll, Dept Phys, Charsadda, Khyber Pakhtunk, Pakistan

Reprint Author's Address:

  • [Rasool, Ghulam]Prince Mohammad Bin Fahd Univ, Coll Engn, Dept Mech Engn, POB 1664, Al Khobar 31952, Saudi Arabia;;

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Source :

MODERN PHYSICS LETTERS B

ISSN: 0217-9849

Year: 2024

1 . 9 0 0

JCR@2022

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 5

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