Shapeshifting crystals: Varying stability in different forms of gallium selenide monolayers

Phys.org  December 24, 2020 Gallium selenide monolayer has been recently discovered to have an alternative crystal structure and has diverse potential applications in electronics. Researchers in Japan studied the structural stability and electronic states of GaSe monolayer with trigonal-antiprismatic (AP) structure by first-principles calculations. The AP-phase GaSe monolayer was found stable, and the differences in energy and lattice constant were small when compared to those calculated for a GaSe monolayer with conventional trigonal-prismatic (P) structure which was found to be the ground state. Moreover, it was revealed that the relative stability of P-phase and AP-phase GaSe monolayers reverses under tensile […]