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Hybrid density functional theory calculations for the electronic and optical properties of Fe3+doped KDP crystals

Release time:2022-12-26|Hits:

Affiliation of Author(s):晶体材料研究院

Journal:CrystEngComm1

First Author:李扬

Document Code:D7DF7158960B4962A0098DC8903EDD5F

Volume:24

Issue:46

Number of Words:5

Translation or Not:no

Date of Publication:2022-10-27

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Density Functional Theory Study of the Point Defects on KDP (100) and (101) Surfaces
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Switchable half-metallicity in A-type antiferromagnetic NiI2 bilayer coupled with ferroelectric In2Se3

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