Structural stability and intriguing electronic properties of two-dimensional transition metal dichalcogenide alloys.Based on the first-principles calculations, we systematically studied the structures and electronic properties of two-dimensional (2D) transition metal dichalcogenide (TMD) alloys with half-to-half mixing of S and Se. 
the first-principles calculations
Using the chemical potentials of S and Se, the energetic phase diagrams for both single phases and mixed phases of TMD were constructed. 
the chemical potentials of S and Se