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Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response

87

Citations

54

References

2019

Year

Abstract

Three series of compounds Li<sub>2</sub>F@B<sub>12</sub>P<sub>12</sub>, Li<sub>3</sub>O@B<sub>12</sub>P<sub>12</sub> and Li<sub>4</sub>N@B<sub>12</sub>P<sub>12</sub> are theoretically designed and investigated for their nonlinear optical response using density functional theory (DFT).

References

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