[23p-C101-1~12] 13.2 Exploratory Materials, Physical Properties, Devices

[23p-C101-1] Electronic states of thin-film solar-cell material BaSi₂

〇Motoharu Imai¹ (1.NIMS)

Keywords:silicides, the first principles calculation, soar cell

In this study, we performed first-principles calculations of the band structure of BaSi2 and 4Si4, a hyoithetical material created by removing Ba atoms from the crystal structure of BaSi2, to explore the cause of the relatively flat band structure of BaSi2 with multiple extreme values.