Electronic and magnetic properties of Mn-doped WSe 2 monolayer under strain

2017 ◽  
Vol 88 ◽  
pp. 11-17 ◽  
Author(s):  
Qianqian Xin ◽  
Xu Zhao ◽  
Tianxing Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Mn Doped

Tuning the electronic and magnetic properties of Mn-doped graphene by gas adsorption and effect of external electric field: First-principles study

2019 ◽  
Vol 33 (16) ◽  
pp. 1950166
Author(s):  
Huan Ma ◽  
Ling Ma ◽  
Liang-Cai Ma
Keyword(s):  
Magnetic Properties ◽  
Electric Field ◽  
External Electric Field ◽  
Spin Polarization ◽  
First Principles ◽  
Density Functional ◽  
Gas Adsorption ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Mn Doped

The effect of gas molecule (H2CO, NO, NO2, O2 and SO2) adsorption on the electronic and magnetic properties of Mn-doped graphene (MnG) is investigated by first-principles calculations in the framework of density functional theory (DFT). Our study reveals that after H2CO, NO, NO2 and SO2 adsorption, MnG transforms from half-metal to semiconductor, and this transformation indicates that MnG’s conductivity is changed significantly. Meanwhile, O2 adsorption has no influence on MnG’s original electronic property. Therefore, the substrate of MnG is highly sensitive to H2CO, NO, NO2 and SO2. The reconfiguration of electron distribution caused by gas adsorption dramatically alters the spin polarization distribution of the combined system, that is, NO2 and H2CO adsorption leads to local spin polarization, whereas O2, NO and SO2 adsorption result in complete spin polarization. In addition, the external electric field (E-field) is varied from −0.50 V/Å to +0.50 V/Å then applied to the adsorption system. A strong interaction is observed between gas and MnG with a positive E-field as reflected in the enhancement of adsorption energy. The interaction is obviously weakened by introducing the E-field in the negative direction. Hence, the adsorption strength and sensitivity of gas on MnG can be effectively tuned by the E-field. The results can serve as useful references for the design of graphene-based gas sensor.

Electronic and magnetic properties of Mn-doped monolayer WS2

2015 ◽  
Vol 215-216 ◽  
pp. 1-4 ◽  
Author(s):  
Xu Zhao ◽  
Xianqi Dai ◽  
Congxin Xia ◽  
Tianxing Wang ◽  
Yuting Peng
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Mn Doped

Structural, electronic, and magnetic properties of Mn-Doped InP nanowire

2016 ◽  
Vol 92 ◽  
pp. 134-142 ◽  
Author(s):  
Pankaj Srivastava ◽  
Avaneesh Kumar ◽  
Neeraj K. Jaiswal
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Mn Doped

Enhanced Electronic and Magnetic Properties of Cr- and Mn-Doped GeC Zinc Blende

2020 ◽  
Vol 33 (8) ◽  
pp. 2513-2520 ◽  
Author(s):  
N. Mediane ◽  
F. Goumrhar ◽  
L. B. Drissi ◽  
K. Htoutou ◽  
R. Ahl Laamara
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Zinc Blende ◽  
Mn Doped

Investigation of the electronic and magnetic properties of Mn doped ZnO using the FP-LAPW method

2017 ◽  
Vol 55 (4) ◽  
pp. 1432-1440 ◽  
Author(s):  
T. Rezkallah ◽  
I. Djabri ◽  
M.M. Koç ◽  
M. Erkovan ◽  
Yu. Chumakov ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Doped Zno ◽  
Mn Doped
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