Electronic and magnetic properties of Tm doped ZnO: a first principle study

2020 ◽  
Author(s):  
Mubushra Umbreen ◽  
Malika Rani ◽  
Nisar Ahmed
Keyword(s):  
Magnetic Properties ◽  
First Principle ◽  
Electronic And Magnetic Properties ◽  
Doped Zno

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

scholarly journals Electronic and Magnetic Properties of Bulk and Monolayer CrSi2: A First-Principle Study

2018 ◽  
Vol 8 (10) ◽  
pp. 1885 ◽  
Author(s):  
Shaobo Chen ◽  
Ying Chen ◽  
Wanjun Yan ◽  
Shiyun Zhou ◽  
Xinmao Qin ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Phonon Dispersion ◽  
First Principle ◽  
Metallic Behavior ◽  
Functional Theory ◽  
Phonon Dispersion Curves ◽  
Electronic And Magnetic Properties ◽  
Quantum Size ◽  
Spin Polarized

We investigated the electronic and magnetic properties of bulk and monolayer CrSi2 using first-principle methods based on spin-polarized density functional theory. The phonon dispersion, electronic structures, and magnetism of bulk and monolayer CrSi2 were scientifically studied. Calculated phonon dispersion curves indicated that both bulk and monolayer CrSi2 were structurally stable. Our calculations revealed that bulk CrSi2 was an indirect gap nonmagnetic semiconductor, with 0.376 eV band gap. However, monolayer CrSi2 had metallic and ferromagnetic (FM) characters. Both surface and confinement effects played an important role in the metallic behavior of monolayer CrSi2. In addition, we also calculated the magnetic moment of unit cell of 2D multilayer CrSi2 nanosheets with different layers. The results showed that magnetism of CrSi2 nanosheets was attributed to band energy between layers, quantum size, and surface effects.

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