High-pressure structural behaviour of HoVO4: combined XRD experiments andab initiocalculations
نویسندگان
چکیده
منابع مشابه
HIGH PRESSURE BEHAVIOR OF KCl: STRUCTURAL AND ELECTRONIC PROPERTIES
The high pressure behavior of the structural and electronic properties of KC1 is studied with use of the density functional pseudopotential method within local-density approximation. Atzero pressure, the rocksalt phase is found to be lower in energy than CsCl structure. However, we predict a phase transition into CsCI structure at a pressure of about 1.5 GPa. The calculated ground state pro...
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the high pressure behavior of the structural and electronic properties of kc1 is studied with use of the density functional pseudopotential method within local-density approximation. atzero pressure, the rocksalt phase is found to be lower in energy than cscl structure. however, we predict a phase transition into csci structure at a pressure of about 1.5 gpa. the calculated ground state propert...
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P. Gao,1 Z. Chen,1 T. A. Tyson,1,2 T. Wu,1 K. H. Ahn,1,2 Z. Liu,3 R. Tappero,4 S. B. Kim,2 and S.-W. Cheong2 1Department of Physics, New Jersey Institute of Technology, Newark, New Jersey 07102, USA 2Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA 3Geophysical Laboratory, Carnegie Institution of Washington, D.C...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2014
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/26/26/265402