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...
متن کاملhigh 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 propert...
متن کاملHigh - pressure structural stability of multiferroic hexagonal
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...
متن کاملHigh-pressure study of structural phase transitions and superconductivity in La1.48Nd0.4Sr0.12CuO4
M. K. Crawford,1 R. L. Harlow,1 S. Deemyad,2 V. Tissen,2,* J. S. Schilling,2 E. M. McCarron,1 S. W. Tozer,3 D. E. Cox,4 N. Ichikawa,5 S. Uchida,5 and Q. Huang6 1DuPont Company, Central Research and Development, Wilmington, Delaware 19880-0356, USA 2Department of Physics, Washington University, St. Louis, Missouri 63130-4899, USA 3National High Magnetic Field Laboratory, Tallahassee, Florida 323...
متن کاملHigh-pressure structural study of yttrium monochalcogenides from experiment and theory
High-pressure powder x-ray diffraction experiments using synchrotron radiation are performed on the yttrium monochalcogenides YS, YSe, and YTe up to a maximum pressure of 23 GPa. The ambient NaCl structure is stable throughout the pressure range covered. The bulk moduli are determined to be 93, 82, and 67 GPa for YS, YSe, and YTe, respectively. First-principles total energy calculations are car...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2016
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.93.054101