Crystal and Electronic Structure of Ternary Bismuthides Ba<i>TM</i><sub>1.8</sub>Bi<sub>2</sub> (<i>TM</i> = Au, Ag) with a New Variation of the BaAu<sub>2</sub>Sb<sub>2</sub> Structure Type
oleh: Andrey I. Shilov, Evgeny O. Rakhmanov, Konstantin A. Lyssenko, Alexey N. Kuznetsov, Igor V. Morozov, Andrei V. Shevelkov
| Format: | Article |
|---|---|
| Diterbitkan: | MDPI AG 2024-01-01 |
Deskripsi
Recently discovered bismuthides with the BaAu<sub>2</sub>Sb<sub>2</sub> structure type demonstrate interesting properties and electronic structures. Here, we report successful crystal growth, crystal structure, band structure calculations, and DOS for BaAg<sub>1.8</sub>Bi<sub>2</sub> and BaAu<sub>1.8</sub>Bi<sub>2</sub>. Grown crystals were characterized by a combination of single crystal X-ray diffraction and EDX spectroscopy. Both compounds crystallized in a new variation of BaAu<sub>2</sub>Sb<sub>2</sub> structure type and demonstrated metallic properties according to our DFT calculations.