Controlling the semiconductor–metal transition in Cu-intercalated TiSe₂ by applying stress

Abstract

A possibility of efficient controlling the optoelectronic properties of quasi-two-dimensional transition metal chalcogenides could greatly expand their innovative applications. Titanium diselenide (TiSe2) is a scientifically and industrially important representative of...

Janus layers and electronic structure of 1T-(TiSeS)2

“…As shown in Fig. 6(a) and (b), 1T-TiS 2 and 1T-TiSe 2 are semiconductors with an indirect band gap between the L - and Γ points, which is consistent with recent experimental results, 14,15 as well as the results in the material database AFLOW. 22 As shown in Fig.…”

“…13 1T-TiSe 2 is a 2D material. 13–15 The primitive cell of 1T-TiSe 2 has an Se–Ti–Se layer with a van der Waals interlayer distance of 3.121 Å.…”

“…So far, all members of the TiS 2 –TiSe 2 system are layered materials crystallizing in the 1T-CdI 2 prototype structure with space group 164 ( P 3̄ m 1). Among them, there are three special cases, namely 1T-TiSe 2 , 13,14 1T-TiS 2 , 13,15 and 1T-TiSeS. 3 1T-TiS 2 (1T-TiSe 2 ) is a compound, where the Ti atom occupies the 1a (0,0,0) Wyckoff site, and S (Se) atoms occupy 2d (1/3, 2/3, z ) and 2d (2/3, 1/3, − z ) Wyckoff sites as shown in Fig.…”