✦ LIBER ✦

Predicting self-diffusion in metal oxides from first principles: The case of oxygen in tetragonal ZrO

✍ Scribed by Youssef, Mostafa; Yildiz, Bilge

Book ID: 121470757
Publisher: The American Physical Society
Year: 2014
Tongue: English
Weight: 641 KB
Volume: 89
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.89.024105

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Predicting self-diffusion in metal oxide

Predicting self-diffusion in metal oxides from first principles: The case of oxygen in tetragonal ZrO

✍ Youssef, Mostafa; Yildiz, Bilge 📂 Article 📅 2014 🏛 The American Physical Society 🌐 English ⚖ 641 KB

First Principles Analysis of the Stabili

First Principles Analysis of the Stability and Diffusion of Oxygen Vacancies in Metal Oxides

✍ Carrasco, J.; Lopez, N.; Illas, F. 📂 Article 📅 2004 🏛 The American Physical Society 🌐 English ⚖ 396 KB

Self-diffusion and macroscopic diffusion

Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculations

✍ Hao, Shiqiang; Sholl, David S. 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 323 KB

First-principles prediction of half-meta

First-principles prediction of half-metallic ferromagnetism in five transition-metal chalcogenides: The case of rocksalt structure

✍ Gao, G. Y.; Yao, Kai-Lun 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 896 KB

Self-doping in boron sheets from first p

Self-doping in boron sheets from first principles: A route to structural design of metal boride nanostructures

✍ Tang, Hui; Ismail-Beigi, Sohrab 📂 Article 📅 2009 🏛 The American Physical Society 🌐 English ⚖ 905 KB

First-principles simulations of the leak

First-principles simulations of the leakage current in metal-oxide-semiconductor structures caused by oxygen vacancies in HfO2high-Kgate dielectric

✍ Mao, L. F. ;Wang, Z. O. 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 198 KB

## Abstract HfO~2~ high‐__K__ gate dielectric has been used as a new gate dielectric in metal–oxide–semiconductor structures. First‐principles simulations are used to study the effects of oxygen vacancies on the tunneling current through the oxide. A level which is nearly 1.25 eV from the bottom of