The 79th JSAP Autumn Meeting, 2018

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Oral presentation

13 Semiconductors » 13.2 Exploratory Materials, Physical Properties, Devices

[19a-436-1~8] 13.2 Exploratory Materials, Physical Properties, Devices

Wed. Sep 19, 2018 9:30 AM - 11:45 AM 436 (436)

Takashi Suemasu(Univ. of Tsukuba), Hirokazu Tatsuoka(Shizuoka Univ.)

11:15 AM - 11:30 AM

[19a-436-7] Electronic structure of Ba1-xSrxSi2 III

〇Motoharu Imai1, Mukesh Kumar1, Naoto Umezawa1 (1.NIMS)

Keywords:BaSi2, solar cell material

We calculated orbital-projected DOS and partial charge distribution of BaSi2, SrSi2, Ba0.5Sr0.5Si2 with Sr atoms at the A1 site (A1-Sr-BSS) and Ba0.5Sr0.5Si2 with Sr atoms at the A2 site (A2-Sr-BSS). We will discuss the difference in the electronic states among the four compounds based on these calculation results.