Enthalpies of Formation of Transition Metal Diborides: A First Principles Study

The enthalpies of formation of transition metals diborides in various structures have been obtained from density functional theory (DFT) calculations in order to determine the ground state at T = 0 K and p = 0. The evolution of the enthalpies of formation along the 3D, 4D, and 5D series has been cor...

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Bibliographic Details
Main Authors: Catherine Colinet, Jean-Claude Tedenac
Format: Article
Language:English
Published: MDPI AG 2015-11-01
Series:Crystals
Subjects:
Online Access:http://www.mdpi.com/2073-4352/5/4/562