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Journals / Gazi University Journal of Science / 2015 / Cilt: 28 - Sayı: 4

The Study of Structural, Electronic, Elastic and Optical Properties of Be1-XZnxSe Alloys

Ali GÜLTEKİN
Mustafa ÖZTÜRK
Mehmet TAMER
Yunus BAŞ
Süleyman ÖZÇELİK
Pages
577–586
Publication Date
2015-06-09
DOI
—
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The results that were founded by both of these methods were found to be compatible.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:The structural, electronic, optical properties and elastic constants of Be1-xZnxSe alloys were studied through using CASTEP program that grounds on density function theory (DFT).
📊
Key Findings & Data:As the exchange correlation, GGA (Generalized Gradients Approximation) and LDA(Local-Density Approximation) were taken.
💡
Conclusion & Impact:The results that were founded by both of these methods were found to be compatible.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:DFT · CASTEP · BeZnSe

Abstract

The structural, electronic, optical properties and elastic constants of Be1-xZnxSe alloys were studied through using CASTEP program that grounds on density function theory (DFT). As the exchange correlation, GGA (Generalized Gradients Approximation) and LDA(Local-Density Approximation) were taken. For compounds, by using elastic constants, Bulk modulus, banned bandwidth, Kleinman parameter Fermi energy and Kramers-Kronig relations; dielectric constants, refractive index, absorption coefficient and loss coefficient were calculated. In addition to this, elastic constants, Bulk modulus were obtained via X-Ray machine depending on Vegard’s law. Ternary alloys were founded by using the properties of binary compounds. The results that were founded by both of these methods were found to be compatible.

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Cite This Article

GÜLTEKİN, A., ÖZTÜRK, M., TAMER, M., BAŞ, Y., ÖZÇELİK, S. (2015). The Study of Structural, Electronic, Elastic and Optical Properties of Be1-XZnxSe Alloys. Gazi University Journal of Science, Cilt: 28 - Sayı: 4, 577–586. https://ajindex.com/articles/254522

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