Multinary Alloys Based on III-V Semiconductors

Threefold Fermions, Weyl Points, and Superconductivity in the Mirror Symmetry Lacking Semiconductor TlCd2Te4

“…The 12 × 12 × 12 k−grids over the first Brillouin zone (BZ) with the energy cut-off of 400 eV are used in the self-consistent calculations. The lattice structure and space group of TlCd 2 Te 4 is obtained from previous experiments [23]. Then, the lattice parameters and positions of ions are optimized until the residual atomic forces are less than 0.03 eV/Å.…”

“…The multinary semiconductor alloy TlCd 2 Te 4 has been synthesized by previous experiments [23]. Based on experimental results, TlCd 2 Te 4 has space group I 4 (#82) with thiogallate structure (defect-chalcopyrite structure, also presented in ordered-vacancy compounds of AB 2 X 4 [36]), which lacks the inversion symmetry while keeps an S The band structure of TlCd 2 Te 4 along high-symmetry lines in Brillouin zone (BZ) (Figure 1c) calculated using LDA is shown in Figure 1f.…”

“…In this work, using first-principles calculations based on density functional theory (DFT), we study the multinary semiconductor alloy material TlCd 2 Te 4 , which has been synthesized by previous experiments [23]. Two TFFs and nodal-line fermions in TlCd 2 Te 4 stemmed from the S 4 improper rotational symmetry are demonstrated.…”

New Thallium Tellurides with Rare Earth Elements

“…One of the rational ways to develop new functional materials is the search for complex structural analogues of already known compounds with the same properties and to optimize their characteristics by directional alloying [1][2][3][4][5].…”