Electronic and magnetic properties of transition-metal-doped monolayer B<sub>2</sub>S<sub>2</sub> within GGA + <i>U</i> framework
Wei Chen, Qi Chen, Jianming Zhang, Lin Zhou, Wenxiao Tang, Zhiyou Wang, Jiwei Deng, Shifeng Wang
Abstract
The calculated band structures DOS and PDOS of Pd-TM doped B 2 S 2 monolayer with 3.12% doping.
Topics & Concepts
MonolayerTransition metalDopingMaterials scienceElectronic structureCondensed matter physicsCrystallographyChemistryChemical physicsNanotechnologyComputational chemistryPhysicsOptoelectronicsOrganic chemistryCatalysis2D Materials and ApplicationsMXene and MAX Phase MaterialsChalcogenide Semiconductor Thin Films