Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System

Abstract

A Calphad assessment of the Si-P system is performed based on critical review of all available original experimental thermodynamic and phase equilibrium data. It is demonstrated that a simple disordered substitutional solution model is sufficient for the liquid phase and that previous assumptions of short-range ordering in the Si-P liquid phase may not be justified. Alternative model descriptions for the Gibbs energy of the (Si) solid solution phase were developed to reveal the consequences in describing the largely scattering solid solubility data of P in (Si). Two alternative sets of consistently calculated phase boundaries of the (Si) phase are shown. It is impossible to reconcile the only experimental (Si) solidus data with the solvus data from the same work.

High-pressure melt growth and transport properties of SiP, SiAs, GeP, and GeAs 2D layered semiconductors

“…The peculiar lower quality of SiP crystals is ascribable to various facts: SiP is the only monopnictide that crystallizes in the orthorhombic space group Cmc2 1 instead of the monoclinic C2/m, which is common to the other compositions. Moreover, according to the phase diagram reported by Liang et al [19], the temperature range suitable for nucleation and growth of SiP is rather narrow. Besides, the isostatic pressure can only be increased over a little range for avoiding the formation of other HP metastable Si x P y phases [29].…”

Binary Phase Diagrams and Thermodynamic Properties of Silicon and Essential Doping Elements (Al, As, B, Bi, Ga, In, N, P, Sb and Tl)

“…Furthermore, they [ 255 ] estimated the solubility line below eutectic based on the data of Borisenko and Yudin [ 254 ], because they [ 255 ] considered the high P solubility values as coexisting P in SiP precipitates. More recently, Liang and Schmid-Fetzer [ 257 ] in their optimized P-Si phase diagram classified the experimental solubility data into lower and higher solid solubilities near the eutectic temperature and thus used two different sets of thermodynamic parameters for the diamond-Si phase optimization. Figure 28 compares different sets of experimental and calculated data in the Si-rich side of the P-Si binary phase diagram.…”

“…Only one intermetallic compound, SiP, exists in the P-Si system at ambient pressure as presented by Olesinski et al [ 242 ]. However, Liang and Schmid-Fetzer [ 257 ] reported two intermetallic compounds, SiP 2 and SiP, in their calculated phase diagram at 0.5, 1, and 200 bar. The compound Si 2 P was only reported by Fritz and Berkenhoff [ 258 ], using X-ray and infra-red (IR) spectra, to form at 450 °C and decompose into Si and SiP at 600 °C.…”

“…The compound Si 2 P was only reported by Fritz and Berkenhoff [ 258 ], using X-ray and infra-red (IR) spectra, to form at 450 °C and decompose into Si and SiP at 600 °C. Due to the limited information, the compound Si 2 P was not included in different versions [ 55 , 242 , 256 , 257 ] of the P-Si phase diagram. SiP single crystal was obtained by Beck and Stickler [ 40 ], who determined the structure of SiP as orthorhombic using X-ray diffraction (XRD) and transition electron microscopy (TEM).…”

Impact of P and Sr on solidification sequence and morphology of hypoeutectic Al–Si alloys: Combined thermodynamic computation and phase-field simulation

“…A new Calphad-type dataset has been developed for the quaternary Al-Si-P-Sr system by combining the well validated binary subsystems Al-Si [18], Al-P [19,20], Al-Sr [21], Si-P [22], Si-Sr [23], and the ternary subsystems Al-Si-P [18] and Al-Si-Sr [24]. For the P-Sr binary system, no phase diagram is available and only the intermetallic phase Sr 3 P 2 is reported in the literature [25].…”