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Application of the regular associated solution model to the Cd-Te and Hg-Te binary systems

The regular associated solution model is used to treat the phase diagrams of the binary II-VI semiconductor alloy systems Hg-Te and Cd-Te. The equations for the species activity coefficients are used without approximations regarding the magnitudes of the various binary interchange energies or the functional dependence on component mol fraction. The values of the four-adjustable parameters required for description of each system are fixed by fitting liquidus data, and the resulting activity coefficients are used to calculate component partial pressures, which are compared with experimental values as an indpendent check of the validity of the model. The results show that the regular associated solution model provides a usefully accurate, but not complete, description for both the Hg-Te and Cd-Te systems. The relationship of this work to previous investigations is discussed.

Kelley, J. D.↗

Materials Data on HgTe by Materials Project

HgTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg2+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Hg–Te bond lengths are 3.30 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on HgTe by Materials Project

HgTe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hg2+ is bonded to five equivalent Te2- atoms to form a mixture of distorted corner and edge-sharing HgTe5 trigonal bipyramids. There are a spread of Hg–Te bond distances ranging from 3.02–3.06 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on HgTe by Materials Project

HgTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing HgTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Te bond lengths are 3.08 Å. Te2- is bonded to six equivalent Hg2+ atoms to form a mixture of edge and corner-sharing TeHg6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on HgTe by Materials Project

HgTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form corner-sharing HgTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Te2- is bonded to four equivalent Hg2+ atoms to form corner-sharing TeHg4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on HgTe by Materials Project

HgTe is Cinnabar structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge and corner-sharing HgTe6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. There are a spread of Hg–Te bond distances ranging from 2.76–3.76 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on HgTe by Materials Project

HgTe crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Hg2+ is bonded in a distorted square co-planar geometry to four equivalent Te2- atoms. All Hg–Te bond lengths are 3.14 Å. Te2- is bonded in a 6-coordinate geometry to four equivalent Hg2+ and two equivalent Te2- atoms. Both Te–Te bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗

Materials Data on HgTe by Materials Project

HgTe is Cinnabar structured and crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. There are a spread of Hg–Te bond distances ranging from 2.78–3.80 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗