scholarly journals Defect Dependence of Positron Lifetimes in Oxide Superconductors

1990 ◽  
Vol 209 ◽  
Author(s):  
P.A. Sterne ◽  
J.C. O'Brien ◽  
R.H. Howell ◽  
J.H. Kaisert
Keyword(s):  
Oxygen Vacancy ◽  
Metal Oxides ◽  
Temperature Dependence ◽  
First Principles ◽  
Oxide Superconductors ◽  
Lifetime Data ◽  
First Principles Calculations ◽  
Vacancy Defects ◽  
Metal Vacancy ◽  
Positron Lifetimes

ABSTRACTFirst principles calculations of the positron lifetimes are used to interpret experimental lifetime data for Ba1-xKxBiO3. The observed lifetimes are found to be very sensitive to the presence of defects in the sample. The temperature dependence of the lifetime and the change in lifetime with sample aging are both attributed to defects. The qualitative differences between metal vacancy defects and oxygen vacancy defects in metal oxides are also discussed.

scholarly journals Anion ordering and vacancy defects in niobium perovskite oxynitrides

2021 ◽  
Vol 2 (7) ◽  
pp. 2398-2407
Author(s):  
Joshua J. Brown ◽  
Youxiang Shao ◽  
Zhuofeng Ke ◽  
Alister J. Page
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Defect Engineering ◽  
Vacancy Defects ◽  
The Stability

First-principles calculations predict the stability and mobility of vacancy defects in niobium perovskite oxynitrides, aiding defect engineering for enhanced photocatalysis.

Facile Removal of Bulk Oxygen Vacancy Defects in Metal Oxides Driven by Hydrogen-Dopant Evaporation

2021 ◽  
pp. 9579-9583
Author(s):  
Min Hu ◽  
Qing Zhu ◽  
Yuan Zhao ◽  
Guozhen Zhang ◽  
Chongwen Zou ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Metal Oxides ◽  
Vacancy Defects ◽  
Bulk Oxygen

First-principles calculations of oxygen vacancy in CaO crystal

2020 ◽  
Vol 74 (10) ◽  
Author(s):  
Kaili Wu ◽  
Tingyu Liu ◽  
Ruxi Sun ◽  
Jiamei Song ◽  
Chunyu Shi
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
First Principles Calculations

scholarly journals First principles calculations of the thermodynamic stability of Ba, Zr, and O vacancies in BaZrO3

RSC Advances ◽  
2019 ◽  
Vol 9 (59) ◽  
pp. 34158-34165 ◽  
Author(s):  
N. Raja ◽  
D. Murali ◽  
S. V. M. Satyanarayana ◽  
M. Posselt
Keyword(s):  
Temperature Dependence ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Formation Energy ◽  
First Principles Calculations ◽  
Reservoir Conditions ◽  
Charge States ◽  
Atomic Reservoir

The temperature dependence of the free formation energy of Ba, Zr and O vacancies in BaZrO3 is investigated for all possible charge states and atomic reservoir conditions.

Tuning metal oxide defect chemistry by thermochemical quenching

2020 ◽  
Vol 22 (11) ◽  
pp. 6308-6317
Author(s):  
Shehab Shousha ◽  
Sarah Khalil ◽  
Mostafa Youssef
Keyword(s):  
Low Temperature ◽  
Metal Oxide ◽  
Metal Oxides ◽  
First Principles ◽  
Growth Conditions ◽  
Defect Chemistry ◽  
First Principles Calculations

Based on first-principles calculations, we show how to tune the low temperature defect chemistry of metal oxides by varying growth conditions.

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