Tuning Magnetic Properties of BiFeO3Thin Films by Controlling Rare-Earth Doping: Experimental and First-Principles Studies

2015 ◽  
pp. 150616125012002 ◽  
Author(s):  
Nguyen Hoa Hong ◽  
Ngo Thu Huong ◽  
Tae-Young Kim ◽  
Souraya Goumri-Said ◽  
Mohammed Benali Kanoun
Keyword(s):  
Magnetic Properties ◽  
Rare Earth ◽  
First Principles ◽  
Rare Earth Doping

First-principles calculations of transport and magnetic properties of rare-earth materials

2012 ◽  
Author(s):  
J. K. Glasbrenner ◽  
J. M. An ◽  
J. Kudrnovský ◽  
V. Drchal ◽  
S. Khmelevskyi ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Rare Earth ◽  
First Principles ◽  
First Principles Calculations

Electronic Properties of Zno Doped by Rare-Earth Elements from First-Principles

2013 ◽  
Vol 690-693 ◽  
pp. 623-626
Author(s):  
Lan Li Chen ◽  
Hong Duo Hu ◽  
Zhi Hua Xiong
Keyword(s):  
Rare Earth ◽  
Fermi Level ◽  
Conduction Band ◽  
First Principles ◽  
Theoretical Explanation ◽  
Rare Earth Doping ◽  
Rare Element ◽  
Rare Elements ◽  
Element Doping ◽  
Strong Hybridization

We perform first-principles calculations to investigate the band structure and density of states of rare-elements doped ZnO. The calculated results show that the shapes of band structures for ZnO by rare-element doping are similar. And the rare-elements incorporation has a little influence on the band gap of the doping system under our considered doping concentration, but after doping, the Fermi level goes into the conduction band, and the electrons from the conduction band minimum to the Fermi level are increasing after rare-earth doping, which means that rare-element doping can change the electrical conductivity of ZnO to a great extent. Meanwhile, it is found that the conduction band near the Fermi level is determined by the rare-element-d states and O-p states, demonstrating as a strong hybridization. This study could provide a theoretical explanation for the factors influencing the properties of ZnO.

scholarly journals Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles

2016 ◽  
Vol 99 (12) ◽  
pp. 4007-4012 ◽  
Author(s):  
Krista R. Limmer ◽  
Mahesh R. Neupane ◽  
Raymond E. Brennan ◽  
Tanya L. Chantawansri
Keyword(s):  
Magnetic Properties ◽  
Rare Earth ◽  
First Principles ◽  
Rare Earth Dopant
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