Physical properties of the 6d-series elements from density functional theory: close similarity to lighter transition metals

Gyanchandani, Jyoti ; Sikka, S. K. (2011) Physical properties of the 6d-series elements from density functional theory: close similarity to lighter transition metals Physical Review B: Condensed Matter and Materials Physics, 83 (17). 172101_1-172101_4. ISSN 1098-0121

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Official URL: http://prb.aps.org/abstract/PRB/v83/i17/e172101

Related URL: http://dx.doi.org/10.1103/PhysRevB.83.172101

Abstract

We have calculated some of the physical properties of the recently discovered 6d elements by density functional theory. Comparison with those of the 5d metals shows that there is a close analogy for the crystal structures, for parabolic variation of equilibrium atomic volumes and bulk moduli, and an almost linearly increasing behavior of the pressure derivative of the bulk modulus across the 6d series. The Friedel model that is used to explain these trends for homologous series also holds for 6d metals. These elements also seem to be placed correctly in the Periodic table.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:67844
Deposited On:31 Oct 2011 14:07
Last Modified:31 Oct 2011 14:07

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