Electronic and optical properties of layered RE2Ti2O7from first principles
What is it about?
Rare earth oxides, RE2Ti2O7 (RE?=?Lanthanid) are used as photocatalysts for water splitting in electrochemical systems and they can be used as potential candidates for manufacturing of ferroelectric random access memories (FRAMs). In the present paper, we report results of first-principles density functional theory (DFT) calculations on the structur structural, electronic, and optical properties of Ce2Ti2O7 and Pr2Ti2O7 compunds.
Why is it important?
This work report the first density functional theory (DFT) study on the structural, electronic, and optical properties of Ce2Ti2O7 and Pr2Ti2O7 compunds.
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