Electronic and magnetic properties of phosphorene tuned by Cl and metallic atom co-doping

2019 ◽  
Vol 21 (34) ◽  
pp. 18551-18558
Author(s):  
Yixi Tang ◽  
Wenzhe Zhou ◽  
Chenhua Hu ◽  
Jiangling Pan ◽  
Fangping Ouyang
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Biaxial Strain ◽  
Impurity States ◽  
Electronic And Magnetic Properties ◽  
Co Doping ◽  
Metallic Atom ◽  
Co Doped

We studied the electronic and magnetic properties of Cl and transition metal co-doped phosphorene. Different species and doping sites gave various characteristics. Biaxial strain was used to adjust the impurity states for V–Cl and Co–Cl co-doping.

Effects of different Cu and N ratios on electronic and magnetic properties of (Cu, N) co-doped ZnO

2021 ◽  
pp. 2150379
Author(s):  
Jing Miao ◽  
Si-Lie Fu ◽  
Chun-An Wang ◽  
Tao Lei ◽  
Lin-Han Wang
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Stable Model ◽  
Text Type ◽  
Electronic And Magnetic Properties ◽  
Co Doping ◽  
The Density Functional Theory ◽  
Comprehensive Comparison ◽  
Direct Band ◽  
Co Doped

The electronic and magnetic properties of (Cu, N) co-doped zinc oxide (ZnO) with different Cu:N ratios of 1:2, 1:1 and 2:1 have been studied based on the density functional theory. Mono-doping of Cu or N into ZnO keeps its direct band gap semiconductor nature and exhibits its [Formula: see text]-type conduction, half-metallic properties for valance band merging below the acceptor levels in a spin direction. However, co-doping of Cu and N into ZnO greatly enhances its conductivity of the system and makes it exhibit metallic properties, the metallic properties become more obvious as the ratio of Cu:N increases from 1:2 to 2:1. Furthermore, co-doping of Cu and N into ZnO can increase magnetic moment for the interaction among Cu [Formula: see text], N [Formula: see text] and O [Formula: see text]. ZnO:2Cu–N model is the most stable model in thermodynamics but it shows anti-ferromagnetism (FM) while ZnO:Cu–N system can achieve room-temperature FM, so Cu:N ratios of 1:1 may achieve better electronic and magnetic properties by comprehensive comparison.

The Dilute Magnetic Properties of Monolayer MoS2 Doped with Transition Metal Fe and VA Atoms

2015 ◽  
Vol 645-646 ◽  
pp. 15-20 ◽  
Author(s):  
Lan Lan ◽  
Jia Mu Cao ◽  
Yi Jiang Cao ◽  
Dian Shuang Xu ◽  
Jing Zhou
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Band Gap ◽  
Density Functional ◽  
Diluted Magnetic Semiconductor ◽  
Magnetic Semiconductor ◽  
Calculation Model ◽  
Co Doping ◽  
Co Doped ◽  
Semiconductor Properties

The two-dimensional material MoS2 has attracted a growing attention due to its potential applications in electronic devices in recent years [1,2,3], and the monolayer MoS2 is a direct gap semiconductor with a band gap of 1.8eV [4]. In the existing studies, it has indicated that MoS2 can get an available magnetism with doping transition metal atoms [5], and is expected to be a new generation of diluted magnetic semiconductor (DMS) [6,7]. Moreover, we found that Fe-doped MoS2 could present a strong magnetism but a semimetal characteristic, losing its original semiconductor properties while obtaining magnetism. Therefore, it is necessary to explore some methods to make monolayer MoS2 exhibit both magnetic and semiconductor properties. In this paper, we propose the method of N, Fe atoms co-doping to achieve this objective. The structural, electronic and magnetic properties of MoS2 doped with transition metal Fe and VA atoms have been investigated by first principle calculations based on density functional theory. The 3×3×1 supercell of monolayer MoS2 as a calculation model has been used. The result shows that pure MoS2 has no magnetism, while Fe-doped MoS2 exhibits a good magnetism about 1.849μB but a semimetal characteristic. This is due to that Mo-4d, S-2p, Fe-3d states has a strong coupling around the Femi energy for the introduction of Fe atom, and the Femi energy only pass through the spin-up density of states. For the co-doping with VA atoms and Fe atoms, it is found that the magnetic moment of Fe-N, Fe-P and Fe-As co-doped MoS2 is 0.956μB, 0.775μB, 0.782μB. Moreover, the Fe-N co-doped MoS2 presents semiconductor characteristics, in contrast, Fe-P and Fe-As co-doped MoS2 appear semimetal properties. It indicates that the semimetal characteristic of Fe-doped MoS2 could change into indirect band gap semiconductor due to the introduction of N atom. The band gap is 0.2eV. Our study demonstrate that the method of Fe, N co-doping could make MoS2 have good magnetic and also semiconductor properties at the same time.

Electronic and magnetic properties of honeycomb transition metal monolayers: first-principles insights

2014 ◽  
Vol 16 (26) ◽  
pp. 13383-13389 ◽  
Author(s):  
Xinru Li ◽  
Ying Dai ◽  
Yandong Ma ◽  
Baibiao Huang
Keyword(s):  
Field Theory ◽  
Monte Carlo ◽  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Mean Field Theory ◽  
Mean Field ◽  
Electronic And Magnetic Properties ◽  
Dirac Systems

The electronic and magnetic properties of d-electron-based Dirac systems are studied by combining first-principles with mean field theory and Monte Carlo approaches.

Composition dependent tuning of electronic and magnetic properties in transition metal substituted Rock-salt MgO

2019 ◽  
Vol 475 ◽  
pp. 44-53
Author(s):  
Kaltoum Klaa ◽  
Salima Labidi ◽  
Amitava Banerjee ◽  
Sudip Chakraborty ◽  
Malika Labidi ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Rock Salt ◽  
Electronic And Magnetic Properties

scholarly journals Electronic and magnetic properties of p，n type dopant and Mn co-doped GaN

2009 ◽  
Vol 58 (5) ◽  
pp. 3324
Author(s):  
Xing Hai-Ying ◽  
Fan Guang-Han ◽  
Zhou Tian-Ming
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Co Doped

Electronic and Magnetic Properties of ZnO Doped and Co-doped with (Co, Cr)

2016 ◽  
Vol 29 (12) ◽  
pp. 3167-3173 ◽  
Author(s):  
N. Rkhioui ◽  
N. Tahiri ◽  
O. El Bounagui ◽  
R. Ahl Laamara ◽  
L. B. Drissi
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Co Doped
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