The FactSage FSupsi ultrapure silicon database










CLICK ON “List of optimized systems”




The FactSage FSupsi alloy database is directed primarily to the liquid state of silicon-rich alloys, with the particular aim of enabling calculation of impurity concentration levels in ultra-pure silicon. 


In addition, a number of elements are included in a Si-rich solid solution phase (diamond structure), although assessed data for solid Si-rich alloys are fewer and less reliable.


Solid phases which may precipitate at low concentration levels of B, C, N and O are also included in the database.


The elements included as impurities in liquid silicon are:


               Ag,    Al,    Au,    B,    Bi,    C,    Ca,    Co,    Cr,    Cu,    Fe,    Ge,   


               H,    Hf,    In,    Li,    Mg,    Mn,    Mo,    N,    Ni,    O,    P,    Pb,   


               Ru,    Sb,    Sn,    Ta,    Ti,    V,    W,    Y,    Zn,    Zr


The elements included in the Si-rich solid solution are:


               B,    C,    Ge,    N,    Sn,    Ti,    Zn


All other elements are treated as insoluble in solid Si.


The major source of data has been the assessments contained in the SGTE2004 Solution Database, together with more recent published assessments. One or two original assessments have been carried out as part of the development work on this database.      


Specific information on each alloy system can be obtained from the list of references supplied below.



Composition Ranges


As mentioned above, the database is intended primarily for calculations relating to

Si-rich liquid alloys – generally up to a few percent total solute concentration. Less reliable calculations involving Si-rich solid alloys may be performed for a limited number of impurity elements.


Temperature Ranges


The database is generally valid for temperatures from about 200 to 300oC below the melting temperature of Si (1414oC) to about 1800oC.




In the assessments, the liquid phase has been described using a simple polynomial expression based on a substitutional solution with random mixing. The Si-rich phase with the diamond structure has been described using the same model.



Pure Element Data


  A.T.Dinsdale, SGTE Data for Pure Elements, Calphad 15 (1991) 317-425


Binary Silicon Systems


Si-Al:    H.Feufel, T.Godecke, H.L.Lukas, F.Sommer, J.Alloys and Compounds 247 (1997) 31-42

Si-Ag:   P.Y.Chevalier, Thermochimica Acta, 113 (1988) 33-41

Si-Au:   P.Y.Chevalier, Thermodata, Grenoble, private communication, July 1998

Si-B:     S.G.Fries, H.L.Lukas, COST 507 (1998) ISBN 92-828-3902-8 pp.126-128

Si-Bi:    R.W.Olesinski, G.J.Abbaschian, Bulletin of Alloy Phase Diagrams 6 (1985) 359-361

Si-C:     H. Dalaker, Doctoral Thesis, Norwegian University of Science and Technology, 2009.

Si-Ca:   C.Anglezio, unpublished work (1991)

Si-Co:   S.D.Choi, Calphad 16 (1992) 151-159

Si-Cr:    C.A.Coughanowr, I.Ansara, H.L.Lukas, Calphad 18 (1994) 125-140

Si-Cu:   M.Jacobs, T.Buhler, COST 507 (1998) ISBN 92-828-3902-8, pp.178-181

Si-Fe:   J.Lacaze, B.Sundman, Met.Trans. 22A (1991) 2211-2223 (C-Fe-Si)

Si-Ge:   C.Bergman, R.Chastel, R.Castanet, J.Phase Equilib. 13 (1992) 113-119

Si-H:     P.J.Spencer, 2008; based on solubility data

Si-Hf:    P. Chartrand, estimate based on Si-Ta and Si-Zr, 2008

Si_In:    R.W.Olesinski, N.Kanani, G.J.Abbaschian, Bull. Alloy Phase Diags. 6 (1985) 128-130

Si-Li:     M.H.Braga, L.F.Malheiros, I.Ansara, J.Phase.Equilib. 16 (1995) 324-330

Si-Mg:   H.Feufel, T.Godecke, H.L.Lukas, F.Sommer, J.Alloys and Compounds 247 (1997) 31-42

Si-Mn:   J.E.Tibballs, SI, Oslo, Norway (1991) Rep. 890221-5

Si-Mo:   J.A.Gisby, NPL, unpublished assessment, 2007

Si-N:      P.J.Spencer, 2002; based on ASM published diagram, 1996

Si-Ni:     M.Lindholm, B.Sundman, Met.Trans 26A (1996) 2897-2903

Si-O:      P.J.Spencer, 2002; based on ASM published diagram, 1996

Si-P:      NPL, unpublished work (1989)

Si-Pb:    R.W.Olesinski, G.J.Abbaschian, Bull.Alloy Phase Diags. 5 (1984) 271-273

Si-Ru:    Thermodata, Grenoble, 2005; provided to SGTE

Si-Sb:    R.W.Olesinski, G.J.Abbaschian, Bull.Alloy Phase Diags. 6 (1985) 445-448

Si-Sn:    M.H.G.Jacobs, P.J.Spencer, Calphad 20 (1996) 89-91

Si-Ta:    C.Vahlas, P-Y.Chevalier, E.Blanquet, CALPHAD 13 (1989) 273-292

Si-Ti:     H.Seifert, COST 507 (1998) ISBN 92-828-3902-8, pp.266-269

Si-V:      M.H.Rand, COST 507 (1994) ISBN 2-87263-156-9, p.182

Si-W:     C.Vahlas, P-Y.Chevalier, E.Blanquet, CALPHAD 13 (1989) 273-292

Si-Y:      Q.Ran, H-L.Lukas, G.Effenberg, G.Petzow, Z. Metallkde. 80 (1989) 402-405

Si-Zn:    M.H.G.Jacobs, P.J.Spencer, Calphad 20 (1996) 307-320

Si-Zr:     C.Gueneau, C.Servant, I.Ansara, N.Dupin, CALPHAD 18 (1994) 319-327