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Journals / Gazi University Journal of Science Part A: Engineering and Innovation / 2021 / Cilt: 8 - Sayı: 4

Rh2CoX (X=Al, Ga and In) Compounds Structural, Elastic, Electronic and Magnetic Properties

Rh2CoX (X=Al, Ga ve In) Bileşiklerinin Yapısal, Elastik, Elektronik ve Manyetik Özellikleri

Ziya MERDAN
Fadime Irmak BALMUMCU
Pages
505–514
Publication Date
2021-12-30
DOI
—
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AI Summary & Key Takeaways

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

Furthermore, elastic constants for the compounds were calculated, and it was showed that these compounds were mechanically stable using the elastic constants obtained.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:Density functional theory was used to investigate the structural properties of full Heusler type Rh2CoX (X=Al, Ga ve In) compounds in the present study.
📊
Key Findings & Data:When the calculated lattice constant and magnetization values for Rh2CoX (X=Al, Ga ve In) compounds are consistent with the literature results.
💡
Conclusion & Impact:Furthermore, elastic constants for the compounds were calculated, and it was showed that these compounds were mechanically stable using the elastic constants obtained.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Elektronik Yapı · Full Heusler Bileşikleri · DFT

Abstract

Density functional theory was used to investigate the structural properties of full Heusler type Rh2CoX (X=Al, Ga ve In) compounds in the present study. When the calculated lattice constant and magnetization values for Rh2CoX (X=Al, Ga ve In) compounds are consistent with the literature results. In addition to the previously published findings, new data were added using the VASP program, which performs ab-initio total energy calculations and focuses on the band, DOS structures and electronic properties of the compounds. Furthermore, elastic constants for the compounds were calculated, and it was showed that these compounds were mechanically stable using the elastic constants obtained.

Özet

Bu çalışmada full Heusler tipi Rh2CoX (X=Al, Ga ve In) bileşiklerinin yapısal özellikleri yoğunluk fonksiyonel teorisi kullanılarak incelenmiştir. Rh2CoX (X=Al, Ga ve In) bileşikleri için hesaplanan örgü sabiti ve magnetizasyon değerleri literatür sonuçları ile uyumludur. Literatürde mevcut olan bulgulara ilaveten ab-initio toplam enerji hesaplamaları yapan VASP programı ile yeni veriler eklenmiş ve bileşiklerin bant, DOS yapıları ve elektronik özellikleri üzerine yoğunlaşılmıştır. Ayrıca bileşikler için elastik sabitler hesaplanmıştır ve elde edilen elastik sabitler bu bileşiklerin mekanik kararlı yapıda olduklarını göstermektedir.

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Cite This Article

MERDAN, Z., BALMUMCU, F. I. (2021). Rh2CoX (X=Al, Ga and In) Compounds Structural, Elastic, Electronic and Magnetic Properties. Gazi University Journal of Science Part A: Engineering and Innovation, Cilt: 8 - Sayı: 4, 505–514. https://ajindex.com/articles/667229

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References (3)

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