A DFT+U study of defect association and oxygen migration in samarium-doped ceria

2011 ◽  
Vol 13 (13) ◽  
pp. 6116 ◽  
Author(s):  
Arif Ismail ◽  
James Hooper ◽  
Javier B. Giorgi ◽  
Tom K. Woo
Keyword(s):  
2021 ◽  
Vol 16 (6) ◽  
Author(s):  
Masaya Nagai ◽  
Yuto Furutani ◽  
Hikaru Takehara ◽  
Tomohide Morimoto ◽  
Masaaki Ashida ◽  
...  

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Meng Meng ◽  
Yuanwei Sun ◽  
Yuehui Li ◽  
Qichang An ◽  
Zhenzhen Wang ◽  
...  

AbstractThe d-band-filling of transition metals in complex oxides plays an essential role in determining their structural, electronic and magnetic properties. Traditionally, at the oxide heterointerface, band-filling control has been achieved via electrostatic modification in the structure of field-effect transistors or electron transfer, which is limited to the quasi-two-dimension at the interface. Here we report a three-dimensional (3D) band-filling control by changing the local lattice coordination in a designed oxide heterostructure. At the LaCoO3/LaTiO3 heterointerface, due to the Fermi level mismatch, electrons transfer from LaTiO3 to LaCoO3. This triggers destabilisation of the CoO6 octahedrons, i.e. the formation of lattice configurations with a reduced Co valence. The associated oxygen migration results in the 3D topotactic phase transition of LaCoO3. Tuned by the thickness of LaTiO3, different crystalline phases and band-fillings of Co occur, leading to the emergence of different magnetic ground states.


Author(s):  
Tarini Prasad Mishra ◽  
Christian Lenser ◽  
Rishi Raj ◽  
Olivier Guillon ◽  
Martin Bram

Coatings ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 724
Author(s):  
Sara Massardo ◽  
Alessandro Cingolani ◽  
Cristina Artini

Rare earth-doped ceria thin films are currently thoroughly studied to be used in miniaturized solid oxide cells, memristive devices and gas sensors. The employment in such different application fields derives from the most remarkable property of this material, namely ionic conductivity, occurring through the mobility of oxygen ions above a certain threshold temperature. This feature is in turn limited by the association of defects, which hinders the movement of ions through the lattice. In addition to these issues, ionic conductivity in thin films is dominated by the presence of the film/substrate interface, where a strain can arise as a consequence of lattice mismatch. A tensile strain, in particular, when not released through the occurrence of dislocations, enhances ionic conduction through the reduction of activation energy. Within this complex framework, high pressure X-ray diffraction investigations performed on the bulk material are of great help in estimating the bulk modulus of the material, and hence its compressibility, namely its tolerance toward the application of a compressive/tensile stress. In this review, an overview is given about the correlation between structure and transport properties in rare earth-doped ceria films, and the role of high pressure X-ray diffraction studies in the selection of the most proper compositions for the design of thin films.


2019 ◽  
Vol 6 (6) ◽  
pp. 1668-1672 ◽  
Author(s):  
Zhidong Huang ◽  
Lei Shang ◽  
Huiying Qi ◽  
Zhe Zhao ◽  
Baofeng Tu ◽  
...  

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