Open AccessMagnetic properties of Ga-doped and As-doped hydrogenated silicene: Density Functional Theory (DFT) calculations
Author(s) -
Mauludi Ariesto Pamungkas,
Fitrizka Eka Sari,
Abdurrouf,
Muhammad Nurhuda
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1572/1/012043
Subject(s) - silicene , materials science , density functional theory , magnetic moment , condensed matter physics , doping , atom (system on chip) , dopant , silicon , gallium , computational chemistry , chemistry , physics , optoelectronics , computer science , embedded system , metallurgy
Computational studies of silicene, which is a two-dimensional silicon material with honeycomb structure, has been carried out using Density Functional Theory Calculation. This study was aimed to determine the effects of doping gallium (Ga) atom and arsenic (As) atom on the magnetic properties of hydrogenated silicene. The results showed that pure silicene has very small magnetic properties, can be considered as non-magnetic. The process of hydrogenation on silicene changes it to become a magnetic material. The effects of Ga/As dopant on the magnetic properties of hydrogenated silicene depends on positions of Ga/As atom. Silicene with As atom at hollow site has the highest magnetic moment of 0.0592 μ B . This value increases from the magnetic moment of hydrogenated silicene magnet by 104%.