CdO as the Archetypical Transparent Conducting Oxide. Systematics of Dopant Ionic Radius and Electronic Structure Effects on Charge Transport and Band Structure

2005 ◽  
Vol 127 (24) ◽  
pp. 8796-8804 ◽  
Author(s):  
Yu Yang ◽  
Shu Jin ◽  
Julia E. Medvedeva ◽  
John R. Ireland ◽  
Andrew W. Metz ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Charge Transport ◽  
Ionic Radius ◽  
Transparent Conducting Oxide ◽  
Transparent Conducting

Enhancing Pr1-xBaxMnO3-δ perovskite charge-transport by electronic structure modulation

2021 ◽  
Author(s):  
H. A. Martinez-Rodriguez ◽  
J. F. Jurado ◽  
G. Herrera-Pérez ◽  
F. Espinoza-Magana ◽  
A. Reyes-Rojas
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Structure Modulation

scholarly journals Nitrogen grain-boundary passivation of In-doped ZnO transparent conducting oxide

2018 ◽  
Vol 2 (4) ◽  
Author(s):  
D. Ali ◽  
M. Z. Butt ◽  
C. Coughlan ◽  
D. Caffrey ◽  
I. V. Shvets ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Transparent Conducting Oxide ◽  
Transparent Conducting ◽  
Doped Zno

Ag-Doped Halide Perovskite Nanocrystals for Tunable Band Structure and Efficient Charge Transport

2019 ◽  
Vol 4 (2) ◽  
pp. 534-541 ◽  
Author(s):  
Shu Zhou ◽  
Yaping Ma ◽  
Guodong Zhou ◽  
Xin Xu ◽  
Minchao Qin ◽  
...  
Keyword(s):  
Band Structure ◽  
Charge Transport ◽  
Perovskite Nanocrystals ◽  
Efficient Charge ◽  
Halide Perovskite

Magnetic Ground State and Electronic Structure Calculations of PbMnO3 Using DFT

2014 ◽  
Vol 895 ◽  
pp. 420-423 ◽  
Author(s):  
Sathya Sheela Subramanian ◽  
Baskaran Natesan
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Fermi Level ◽  
Ground State ◽  
Density Functional ◽  
Electronic Structure Calculations ◽  
Magnetic Ground State ◽  
Electronic Band ◽  
Structure Calculations ◽  
Centrosymmetric Structure

Structural optimization, magnetic ground state and electronic structure calculations of tetragonal PbMnO3have been carried out using local density approximation (LDA) implementations of density functional theory (DFT). Structural optimizations were done on tetragonal P4mm (non-centrosymmetric) and P4/mmm (centrosymmetric) structures using experimental lattice parameters and our results indicate that P4mm is more stable than P4/mmm. In order to determine the stable magnetic ground state of PbMnO3, total energies for different magnetic configurations such as nonmagnetic (NM), ferromagnetic (FM) and antiferromagnetic (AFM) were computed for both P4mm and P4/mmm structures. The total energy results reveal that the FM non-centrosymmetric structure is found to be the most stable magnetic ground state. The electronic band structure, density of states (DOS) and the electron localization function (ELF) were calculated for the stable FM structure. ELF revealed the distorted non-centrosymmetric structure. The band structure and DOS for the majority spins of FM PbMnO3showed no band gap at the Fermi level. However, a gap opens up at the Fermi level in minority spin channel suggesting that it could be a half-metal and a potential spintronic candidate.

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