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Unexpected High-Pressure Phase of GeTe with an Origin of Low Ionicity and Electron Delocalization

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First-principles evolutionary searches have been performed to systematically explore the high-pressure phases of germanium telluride. Two new phases are found to be both energetically and dynamical... Click to show full abstract

First-principles evolutionary searches have been performed to systematically explore the high-pressure phases of germanium telluride. Two new phases are found to be both energetically and dynamical...

Keywords: pressure phase; gete origin; high pressure; unexpected high; phase gete; pressure

Journal Title: Journal of Physical Chemistry C
Year Published: 2018

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