Author
Listed:
- Noorhan F. AlShaikh Mohammad
(An-Najah National University
Palestine Technical University)
- Mohammed S. Abu-Jafar
(An-Najah National University)
- Jihad H. Asad
(Palestine Technical University)
- A. Bouhemadou
(Ferhat Abbas University - Setif 1)
- Ahmad A. Mousa
(Middle East University
Applied Science Private University)
- R. Khenata
(Université de Mascara)
- Abdullah Chik
(Universiti Malaysia Perlis (UniMAP))
Abstract
The structural, elastic, electronic, magnetic, thermoelectric, and dynamic properties of the $$CoCrSe$$ CoCrSe half-Heusler compound were examined using the WIEN2k code. Calculations were carried out in this work using the full-potential linearized augmented plane-wave (FP-LAPW) approach and density functional theory (DFT). We used modified Becke–Johnson (mBJ) exchange–correlation functional to improve the electronic energy bandgap. We studied different electronic properties of the $$CoCrSe$$ CoCrSe compound, including density of states (DOS) and band structure plots. We also investigated the magnetic characteristics by computing magnetic moments and examining the behavior of spin-polarized electronic states. In addition, the elastic characteristics of the $$CoCrSe$$ CoCrSe compound were determined. These properties, such as stiffness, resilience, and general stability, provide vital insights into the material’s response to mechanical deformation. The calculated elastic constants indicate that $$CoCrSe$$ CoCrSe it is mechanically stable, brittle, and anisotropic. On the other hand, the compound is dynamically stable. Finally, we also check the thermoelectric properties. Graphical abstract The crystal structure of the compound $$CoCrSe$$ CoCrSe
Suggested Citation
Noorhan F. AlShaikh Mohammad & Mohammed S. Abu-Jafar & Jihad H. Asad & A. Bouhemadou & Ahmad A. Mousa & R. Khenata & Abdullah Chik, 2024.
"Investigating of structural, electronic, magnetic, dynamic, and thermoelectric properties of CoCrSe half-Heusler compound using FP-LAPW method,"
The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 97(5), pages 1-14, May.
Handle:
RePEc:spr:eurphb:v:97:y:2024:i:5:d:10.1140_epjb_s10051-024-00700-9
DOI: 10.1140/epjb/s10051-024-00700-9
Download full text from publisher
As the access to this document is restricted, you may want to search for a different version of it.
Corrections
All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:eurphb:v:97:y:2024:i:5:d:10.1140_epjb_s10051-024-00700-9. See general information about how to correct material in RePEc.
If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.
We have no bibliographic references for this item. You can help adding them by using this form .
If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.
For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .
Please note that corrections may take a couple of weeks to filter through
the various RePEc services.