The quantum spin Hall (QSH) states in two-dimensional
topological
insulators (2DTIs) are expected to be applied to future topological
quantum computation. We investigate the two-dimensional (2D) lateral
heterojunctions of the monolayer 1T′–WTe2 as a 2DTI and the monolayer 2H–MoTe2 as a topologically
trivial insulator using density functional theory. This 2D material
is expected to have QSH states at each periodically arranged junction
as well as properties distinct from the individual properties of each
constituent material. At heterojunctions perpendicular to the dimer
chains of W atoms in 1T′–WTe2 (in the y direction), two pairs of helical (QSH) states, one at
each junction, connect the valence and conduction bands. The strain
induced by the large lattice mismatch of the two materials in the y direction widens the bandgap of the 1T′–WTe2 monolayer as a QSH insulator. In the case of the heterojunctions
in the x direction, the difference in atomic structure
between the two junctions due to low symmetry creates an energy difference
between two helical states and a potential gradient in the wide-bandgap
2H–MoTe2 region, resulting in various junction-localized
bands. The widening bandgap of the heterojunctions in the y direction is essential for electronic applications of
the QSH states, suggesting that this 2D material, namely, 2D WTe2/MoTe2 heterojunctions, can be a promising candidate
for integrating Majorana qubits for future topological quantum computation.