Electronic and Magnetic Structure of Monolayer MnAs (111): A case study by DFT
نویسندگان
1 Medical technical college, Al-Farahidi University, Iraq
2 Al-Zahrawi University College, Karbala, Iraq
3 Physics Department, College of Science, University of Halabja, 46018, Halabja, Iraq
4 Department of Anesthesia Techniques, Al-Noor University College, Nineveh, Iraq
5 Ahl Al Bayt University Kerbala Iraq.
6 Department of Forensic Sciences, National University of Science and Technology, Dhi Qar, 64001, Iraq
7 Nursing Department, College of Nursing, University of Human Development, Sulaymaniyah, Kurdistan Region of Iraq
doi
10.22034/crl.2024.448436.1312چکیده
We have calculated the electronic and magnetic properties of the monolayer MnAs (111) using a variety of density functional theory (DFT) approaches including PBE-GGA. By cutting the bulk crystalline MnAs in the NiAs-type phase and (111) direction, the properties of this compound have completely changed, and the half-metallic property changes to metallic, and its magnetic properties are increased. The Mn atom has the most effect in creating a stronger magnetic state in the monolayer MnAs (111). In spin up and down, the most electronic states of the Mn atom belong to the valence and the conduction region respectively. The material response to the incident light in the visible light region, as well as the low energy loss in both directions in this region, promises to use it with the lowest range of energy loss in optical applications.
