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High-prebure phases of cadmium phosphide, Cd3P2
A. Waśkowska, L. Gerward, J.S. Olsen, G. Vaitheeswaran, , F.S. Yel'kin, V.A. Sidorov
Published in Karlsruhe Forschungszentrum Karlsruhe gmbH
2005
Abstract
The crystal structure stability of Cd3P2 has been studied in the prebure range 0-30 GPa using high-prebure X-ray diffraction (XRD) in conjunction with synchrotron radiation. The experimental zero-prebure bulk modulus of tetragonal Cd3P2 is 64.7(7) GPa. Experiments were accompanied by first-principle density functional calculation using tight-binding linear muffin-Tin orbital method within the local density approximation (LDA) to compare the ground state properties. The calculated bulk modulus is 66.3 GPa, in good agreement with the experimental value. A structural phase transformation has been found with a transition prebure of 4.0 GPa. Tentatively, the crystal structure of the high-prebure phase is orthorhombic with space group Pmmn (59). Amorphization of the sample occurs above 25 GPa. The tetragonal to orthorhombic phase transformation has also been observed in electrical resistance measurements using a four-probe method. The first-order character of the transition has been confirmed.
About the journal
JournalJoint 20th AIRAPT and 43rd EHPRG International Conference on High Pressure Science and Technology
PublisherKarlsruhe Forschungszentrum Karlsruhe gmbH