Compressibility and structural stability of CeN from experiment and theory. the B1-B2 transition

Olsen, J S and Jorgensen, J E and Gerward, L and Vaitheeswaran, G and V, Kanchana and Svane, A (2012) Compressibility and structural stability of CeN from experiment and theory. the B1-B2 transition. Journal of Alloys and Compounds, 533. pp. 29-32. ISSN 0925-8388

Full text not available from this repository. (Request a copy)


The high-pressure structural stability of CeN is investigated by experiment and theory. Experiments are carried out by energy-dispersive X-ray diffraction and synchrotron radiation, using a diamond anvil cell, to a maximum pressure of 77 GPa. The experimental results are in remarkably good agreement with ab initio calculations using the full-potential linear muffin-tin orbital method within the generalized gradient approximation (GGA). The experimental zero pressure bulk modulus is B 0 = 156(3) GPa, the pressure derivative being constrained to B 0′ = 4.00. The corresponding calculated data are B 0 = 158.1 GPa and B 0′ = 3.3. We report here the first experimental observation of the transformation of CeN from the ambient B1 type crystal structure to the B2 type. The onset of the transition is in the range 65-70 GPa, and the relative volume change at the transition is ΔV/V = -10.9(3)%. These data compare well with the calculated transition pressure P tr = 68 GPa and ΔV/V = -10.8%. Experimentally, the transition is found to be rather sluggish

[error in script]
IITH Creators:
IITH CreatorsORCiD
Item Type: Article
Uncontrolled Keywords: B1-B2 transition; Bulk modulus; Cerium nitride; Density functional theory; High-pressure X-ray diffraction; Synchrotron radiation
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 11 Nov 2014 04:16
Last Modified: 14 Aug 2017 07:24
Publisher URL:
OA policy:
Related URLs:

Actions (login required)

View Item View Item
Statistics for RAIITH ePrint 690 Statistics for this ePrint Item