Sürücü, Özge

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https://hdl.handle.net/20.500.14411/7179
Name Variants
Bayrakll Ö.
O., Surucu
Bayrakli O.
Bayrakli, Ozge
O.,Surucu
Surucu, Ozge
Ö.,Sürücü
Ozge, Surucu
Sürücü, Özge
Ö., Sürücü
Bayraklı Sürücü Ö.
Özge, Sürücü
Sürücü,Ö.
Surucu, O. Bayrakli
Bayrakli Sürücü O.
Bayraklı Ö.
Surucu,O.
Bayrakli Surucu O.
Bayrakli Ö.
Sürücü Ö.
S.,Ozge
Bayrakli, O.
S., Özge
S., Ozge
S.,Özge
Bayrakli Surucu, Ozge
Surucu O.
Surucu, O.
Bayrakli Sürücü Ö.
Job Title
Doçent Doktor
Email Address
ozge.surucu@atilim.edu.tr
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Electrical-Electronics Engineering
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Website
ORCID ID
0000-0002-8478-1267
Scopus Author ID
Turkish CoHE Profile ID
Google Scholar ID
WoS Researcher ID
ABA-4839-2020

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Documents

55

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    Article
    Citation - WoS: 9
    Citation - Scopus: 9
    Dft Insights Into Noble Gold-Based Compound Li5aup2: Effect of Pressure on Physical Properties
    (Amer Chemical Soc, 2023) Surucu, Gokhan; Gencer, Aysenur; Surucu, Ozge; Ali, Md. Ashraf
    In this study, the Li5AuP2 compound is investigated in detail due to the unique chemical properties of gold that are different from other metals. Pressure is applied to the compound from 0 to 25 GPa to reveal its structural, mechanical, electronic, and dynamical properties using density functional theory (DFT). Within this pressure range, the compound is optimized with a tetragonal crystal structure, making it mechanically and dynam-ically stable above 18 GPa and resulting in an increment of bulk, shear, and Young's moduli of Li5AuP2. Pressure application, furthermore, changes the brittle or ductile nature of the compound. The anisotropic elastic and sound wave velocities are visualized in three dimensions. The thermal properties of the Li5AuP2 compound are obtained, including enthalpy, free energy, entropy x T, heat capacity, and Debye temperature. The electronic properties of the Li5AuP2 compound are studied using the Perdew-Burke-Ernzerhof (PBE) and Heyd-Scuseria-Ernzerhof (HSE) functionals. The pressure increment is found to result in higher band gap values. The Mulliken and bond overlap populations are also determined to reveal the chemical nature of this compound. The optical properties, such as dielectric functions, refractive index, and energy loss function of the Li5AuP2 compound, are established in detail. To our knowledge, this is the first attempt to study this compound in such detail, thus, making the results obtained here beneficial for future studies related to the chemistry of gold.