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Structure, elasticity and stability of reidite (ZrSiO4) under hydrostatic pressure: A density functional study

✍ Scribed by Rajkrishna Dutta; Nibir Mandal


Book ID
119322188
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
797 KB
Volume
135
Category
Article
ISSN
0254-0584

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The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi