Comparing the Pressure-Induced Structural Behavior of CuCr2O4 and CuCr2Se4 Spinels
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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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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2017
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.7b04657