c/a Anomalies, thermoelectric power and electronic topological transitions in Cd

Godwal, B. K. ; Meenakshi, S. ; Rao, R. S. ; Vijayakumar, V. (1998) c/a Anomalies, thermoelectric power and electronic topological transitions in Cd Journal of Physics and Chemistry of Solids, 59 (5). pp. 747-751. ISSN 0022-3697

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00223...

Related URL: http://dx.doi.org/10.1016/S0022-3697(97)00215-1


Thermoelectric power (TEP) measurements up to 6.9 GPa pressure and the total energy calculations for the axial ratio (c/a) variation with compression were carried out for cadmium. We find two anomalies as compared to a single anomaly observed in the experimental X-ray diffraction (XRD) data. The first anomaly at V/V0 = 0.95 is due to electronic topological transition (ETT) and correlates well with our TEP data, and with the anomaly observed in the existing resistivity data. The second anomaly at V/V0 = 0.85 correlates well with the recent high-precision imaging plate-based XRD data. We attribute the 4d-orbital overlap, coupled with transfer of electrons from d to s states as the cause of this anomaly. This finding is in contrast to the existing understanding in zinc, where the c/a anomaly is attributed to the destruction of a giant Kohn anomaly by ETT. Non-destruction of the giant Kohn anomaly in cadmium shows that the Fermi surface of Cd is different from that of Zn at high pressures.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:A. Metals; C. High Pressure; C. Ab Initio Calculations; D. Fermi Surface; D. Electronic Structure
ID Code:11717
Deposited On:13 Nov 2010 14:00
Last Modified:02 Jun 2011 09:34

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