The first-principles band theory paradigm has been a key player not only in the process of
discovering new classes of topologically interesting materials, but also for identifying salient …

Topological phases with insulating bulk and gapless surface or edge modes have attracted
intensive attention because of their fundamental physics implications and potential …

Using first-principles GW Bethe-Salpeter equation calculations and the k· p theory, we
unambiguously show that for two-dimensional (2D) semiconductors, there exists a robust …

MXenes are a large family of two-dimensional (2D) early transition metal carbides that have
shown great potential for a host of applications ranging from electrodes in supercapacitors …

Searching for the two-dimensional (2D) topological insulators (TIs) with large bulk band
gaps is the key to achieve room-temperature quantum spin Hall effect (QSHE). Using first …

Quantum spin Hall (QSH) effect is promising for achieving dissipationless transport devices
which can be achieved only at extremely low temperature presently. The research for new …

By means of density functional theory (DFT) computations, we predict that the suitable strain
modulation of honeycomb arsenene results in a unique two-dimensional (2D) topological …

A stibarsen [derived from Latin stibium (antimony) and arsenic] or allemontite, is a natural
form of arsenic antimonide (SbAs) with the same layered structure as arsenic and antimony …

Ultrathin Janus two-dimensional (2D) materials are attracting intense interest currently.
Substitutional doping of 2D transition metal dichalcogenides (TMDs) is of importance for …

Topological insulators (TIs) are promising for achieving dissipationless transport devices
due to the robust gapless states inside the insulating bulk gap. However, currently realized …