GGA and GGA + U Study of ThMn<sub>2</sub>Si<sub>2</sub> and ThMn<sub>2</sub>Ge<sub>2</sub> Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

GGA and GGA + U Study of ThMn<sub>2</sub>Si<sub>2</sub> and ThMn<sub>2</sub>Ge<sub>2</sub> Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Our study used the full-potential linearized augmented plane waves (FP-LAPW) method to conduct a first-principles evaluation of the structural, electronic, and magnetic properties of ThMn<sub>2</sub>X<sub>2</sub> (X = Si and Ge) compounds. To establish theoretical dependabili...

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Bibliographic Details
Main Authors: Abdul Ahad Khan, Zeshan Zada, Ali H. Reshak, Muhammad Ishaq, Sabeen Zada, Muhammad Saqib, Muhammad Ismail, Muhammad Fazal-ur-Rehman, Ghulam Murtaza, Shafqat Zada, Muhammad M. Ramli
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Molecules
Subjects:
magnetic properties
ThMn<sub>2</sub>Si<sub>2</sub>
ThMn<sub>2</sub>Ge<sub>2</sub>
ferromagnetic phase
Online Access:https://www.mdpi.com/1420-3049/27/20/7070

Internet

https://www.mdpi.com/1420-3049/27/20/7070

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