First-principles and Monte Carlo investigation of magnetic properties of two-dimensional transition metal alloyed boron-carbide CrFeBC sheet
Abdullahi, Yusuf Zuntu 1Vatansever, Zeynep Demir 2Akturk, Ethem 1Akinci, Umit 2Akturk, Olcay Uzengi1
扫码查看
点击上方二维码区域，可以放大扫码查看
作者信息
1. Adnan Menderes Univ
2. Dokuz Eylul Univ
折叠
Abstract
We identify a new two-dimensional (2D) tetragonal phase of transition metal alloyed boron-carbide (t-CrFeBC) sheet through combined first-principles calculations and Monte Carlo (MC) simulations. The t-CrFeBC sheet prefers a ferromagnetic ground state with the metallic electronic property. Also, the t-CrFeBC sheet is dynamically and thermally stable. t-CrFeBC exhibits sizable magnetic anisotropy energy (MAE) of 120 mu eV per CrFe alloy with an in-plane easy axis (EA) magnetization direction. Moreover, hysteresis loops and other hysteresis related properties (coercivity and remanent magnetization) which are evidence of existence of ferromagnetism in the tCrFeBC sheet are presented for a wide range of temperature. MC simulation results indicate that t-CrFeBC sheet is soft magnetic material with a small coercieve field and narrow rectangular shaped hysteresis curve near the room temperature. All results show that 2D t-CrFeBC sheet holds a unique promise for advanced magnetic device applications.
Key words
Boron-carbide CrFeBC sheet/High Curie temperature ferromagnetism/Monte Carlo method/First-principle calculations/Soft magnetic materials/GRAPHITIC CARBON NITRIDE/HIGH-TEMPERATURE FERROMAGNETISM/FE/MONOLAYER/CLUSTERS/ATOMS/RU
NSTL
Elsevier