Ultrahigh mobility and Rashba spin splitting in Sb-substituted bismuth telluride and bismuth selenide

Key Points

• The study aims to explore how Sb substitution in bismuth compounds affects electronic structures and transport properties.
• Utilized density functional theory (DFT) for computational analysis.
• Investigated compositions of (Bi 1−x Sb x ) 2 Te 3 and (Bi 1−x Sb x ) 2 Se 3 across varying x values.
• Analyzed the effects of composition on band inversion and spin texture.
• Identified pronounced Rashba splitting at x = 0.6 in Bi 2 Te 3 with an α R of 2.098 eV Å.
• Showed that Sn influences structural and electronic features, enhancing mobility and spin properties.