𝔖 Bobbio Scriptorium
✦   LIBER   ✦

First principles calculations of hydrogen-induced decrease in the cohesive strength of α-Al2O3 single crystals

✍ Scribed by Hai-You Huang; Ming Wu

Book ID
116376144
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
340 KB
Volume
54
Category
Article
ISSN
0927-0256

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Effect of substituted IIIB transition me
Effect of substituted IIIB transition metals on the energy gap of α-Al2O3by first-principle calculations
✍ Benam, M. R. ;Rahnamaye Aliabad, H. A. ;Hosseini, S. M. 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 584 KB

## Abstract Self‐consistent band structure and density of states calculations were performed for the pure alumina (corundum phase) and the aluminates α‐Al~2–__x__~ T__~x~__ O~3~ where T is a transition metal and stands for Sc, Y, La and Ac with __x__ = 0.5. In this study we have employed the full p