Defects in Statically Unstable Solids: The Case for Cubic Perovskite α-CsPbI3
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DOI: 10.1088/0256-307x/39/4/046101
Abstract: High-temperature phases of solids are often dynamically stable only. First-principles study of point defects in such solids at 0 K is prohibited by their static instability, which results in random structures of the defect-containing supercell… read more here.
Keywords: statically unstable; perovskite cspbi3; unstable solids; defects statically ... See more keywords