The electronic structure and magnetic properties of transition metal-doped silicon carbide

2004 ◽  
Vol 16 (10) ◽  
pp. 1761-1768 ◽  
Author(s):  
V L Shaposhnikov ◽  
N A Sobolev
Keyword(s):  
Silicon Carbide ◽  
Magnetic Properties ◽  
Electronic Structure ◽  
Transition Metal ◽  
Doped Silicon ◽  
Metal Doped

A DFT investigation on group 8B transition metal-doped silicon carbide nanotubes for hydrogen storage application

2018 ◽  
Vol 439 ◽  
pp. 494-505 ◽  
Author(s):  
Chanukorn Tabtimsai ◽  
Vithaya Ruangpornvisuti ◽  
Sarawut Tontapha ◽  
Banchob Wanno
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Hydrogen Storage ◽  
Silicon Carbide Nanotubes ◽  
Doped Silicon ◽  
Metal Doped

A review on transition metal doped silicon carbide

2019 ◽  
Vol 45 (7) ◽  
pp. 8069-8080 ◽  
Author(s):  
Abdul Majid ◽  
Naema Rani ◽  
Muhammad Faheem Malik ◽  
Naeem Ahmad ◽  
Najam-al-Hassan ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Doped Silicon ◽  
Metal Doped

Electronic Structure and Magnetic Properties of Transition Metal Doped Silicon Carbide in Different Polytypes

2006 ◽  
Vol 527-529 ◽  
pp. 641-646 ◽  
Author(s):  
M.S. Miao ◽  
Walter R.L. Lambrecht
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Exchange Interaction ◽  
Density Functional ◽  
Magnetic Interactions ◽  
Orbital Method ◽  
Full Potential ◽  
Local Exchange ◽  
Doped Silicon ◽  
Metal Doped

We report density functional calculations using the full-potential linearized muffin-tin orbital method on early first row transition metal doped Silicon Carbide in both cubic (3C) and hexagonal (4H) polytypes. The energy levels in the gap for Ti, V and Cr are in good agreement with the available photoluminescence experiments. Our calculation shows that the Ti impurity is active for 4H but not for 3C, while V and Cr impurities are active for both polytypes. The magnetic interactions are very different for Cr and Mn. Cr shows a very local exchange interaction that decays rapidly, which is similar for different polytypes and different sites. The exchange interaction for Mn is quite long range and is very sensitive to the location of the Mn pairs.

The magnetic and optical properties of 3d transition metal doped SnO2 nanosheets

RSC Advances ◽  
2015 ◽  
Vol 5 (31) ◽  
pp. 24306-24312 ◽  
Author(s):  
Yong Feng ◽  
Wei-Xiao Ji ◽  
Bao-Jun Huang ◽  
Xin-lian Chen ◽  
Feng Li ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Optical Properties ◽  
Electronic Structure ◽  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
First Principles Calculations ◽  
Metal Doped

Based on first-principles calculations, we study the electronic structure, magnetic properties and optical properties of transition metal atom doped SnO2NSs.

Ab initiostudies of magnetism in transition-metal-doped silicon carbide

2007 ◽  
Vol 76 (16) ◽  
Author(s):  
Andrei V. Los ◽  
Andrei N. Timoshevskii ◽  
Victor F. Los ◽  
Sergey A. Kalkuta
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Doped Silicon ◽  
Metal Doped

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

Structural and magnetic properties of transition metal doped ZnO films

2010 ◽  
Vol 518 (8) ◽  
pp. 2152-2156 ◽  
Author(s):  
C.G. Jin ◽  
Y.Gao ◽  
X.M. Wu ◽  
M.L. Cui ◽  
L.J. Zhuge ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Zno Films ◽  
Structural And Magnetic Properties ◽  
Doped Zno ◽  
Metal Doped
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