𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Crystal structure of KAlH4 from first principle calculations

✍ Scribed by P. Vajeeston; P. Ravindran; A. Kjekshus; H. Fjellvåg

Book ID
117622044
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
192 KB
Volume
363
Category
Article
ISSN
0925-8388

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Crystal structure and physical propertie
Crystal structure and physical properties of OsN: First-principle calculations
✍ Yinwei Li; Yanming Ma 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 933 KB

Using ab initio evolutionary methodology for crystal structure prediction, we have found two orthorhombic structures of Pmn2 1 and Cmc2 1 for potential superhard OsN, energetically much superior to the previously proposed NaCl-type and WC-type structures. The Pmn2 1 structure which consisted of dist