Reaction of Silicon and Phosphorus at High Temperature and High Pressure

Structure and growth of single crystal SiP 2 using flux method

“…The oxidation number of P1 and P2 is À3, and for P3 and P4 is À1. The length of the SieP bonds range from 2.238 to 2.322 Å and is comparable to those of cubic SiP 2 (2.397 Å) [8], cubic SiP (2.269 Å) [5] and orthorhombic SiP (2.254 -2.300 Å) [6]. The length of the PeP bond is 2.267 Å and is similar to those of cubic SiP 2 (2.162 Å) [8], LnSi 2 P 6 (2.181e2.238 Å; Ln ¼ La, Ce) [23] and CeSiP 3 (2.251e2.331 Å) [24].…”

“…Silicon monophosphide has two reported crystal structures, cubic SiP (F-43m, No. 216) [5] and orthorhombic SiP (Cmc2 1 , No. 36) [6].…”

“…36) [6]. For silicon diphosphide, two crystal structures (cubic [5] and orthorhombic [7]) have been reported.…”

“…205) [5,8].Cubic SiP 2 was first synthesized by using a high temperature high pressure solid state reaction [5,8], and later by halogen transport of the elements under autogenous pressure [9]. It is a metallic compound, and some works on its experimental [9e12] and calculated [13e15] properties have been reported.…”

Highly stable two-dimensional silicon phosphides: Different stoichiometries and exotic electronic properties

“…Four crystalline Si x P y phases were reported in past experiments [19][20][21] and their calculated ∆H are shown in Figure 1 (red triangles). For the stoichiometry of Si 1 P 1 , the bulk Cmc2 1 phase has a negligibly lower ∆H value (6 meV/atom) than our predicted monolayer P-6m2 phase, while the bulk F-43m phase has a significantly positive ∆H value of 0.216 eV/atom.…”