19–24 May 2024
Music City Center
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Effects of defects on the electronic and optical properties of cesium antimonide: insights from first-principles calculations

WEPC59
22 May 2024, 16:00
2h
Country (MCC Exhibit Hall A)

Country

MCC Exhibit Hall A

Poster Presentation MC2.T02 Electron Sources Wednesday Poster Session

Speaker

Sandip Aryal (Los Alamos National Laboratory)

Description

Cesium antimonide (Cs3Sb) photocathodes are prime candidates to replace the metallic ones currently used to generate high brightness electron beam in X-ray free electron laser and X-ray energy-recovery linacs. Their appeal stems from their outstanding photo-emissive properties, such as low work function, that give them a high quantum yield. Whereas typical computational analyses of these materials have focused on the defect-free crystal structure, the crystals grown in the laboratory are bound to have intrinsic defects that can alter their photo-emissive properties. Therefore, understanding the effect of such defects on the photo-emissive properties from first principles is essential. In this work, we started by computationally studying the effect of Cs vacancies of varying concentration on the electronic and optical properties of Cs3Sb. Our calculations reveal that such vacancies induce mid gap states in the electronic band structure. These mid-gap states lead to changes in the absorption coefficient. Such changes in the absorption coefficient suggest changes in the quantum yield of Cs3Sb, affecting its photo-emissive response.

Funding Agency

This work is funded by LANL LDRD 20220058ER. LA-UR-23-33735.

Region represented North America
Paper preparation format Word

Primary author

Sandip Aryal (Los Alamos National Laboratory)

Co-authors

Enrique Batista (Los Alamos National Laboratory) Gaoxue Wang (Los Alamos National Laboratory) Vitaly Pavlenko (Los Alamos National Laboratory)

Presentation materials

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