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NASA NTRS2005

Thermophysical and Optical Properties of Semiconducting Ga2Te3 Melt

The majority of bulk semiconductor single crystals are presently grown from their melts. The thermophysical and optical properties of the melts provide a fundamental understanding of the melt structure and can be used to optimize the growth conditions to obtain higher quality crystals. In this paper, we report several thermophysical and optical properties for Ga2Te3 melts, such as electrical conductivity, viscosity, and optical transmission for temperatures ranging from the melting point up to approximately 990 C. The conductivity and viscosity of the melts are determined using the transient torque technique. The optical transmission of the melts is measured between the wavelengths of 300 and 2000 nm by an dual beam reversed-optics spectrophotometer. The measured properties are in good agreement with the published data. The conductivities indicate that the Ga2Te3 melt is semiconductor-like. The anomalous behavior in the measured properties are used as an indication of a structural transformation in the Ga2Te3 melt and discussed in terms of Eyring's and Bachinskii's predicted behaviors for homogeneous melts.

Li, Chao↗

DOE OSTI2020

Materials Data on Ga2Te3 by Materials Project

Ga2Te3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are one shorter (2.59 Å) and three longer (2.71 Å) Ga–Te bond lengths. In the second Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.60–2.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a water-like geometry to two Ga3+ atoms. In the second Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the third Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.

36 MATERIALS SCIENCE↗

NASA NTRS2001

Partial Pressures of Te2 and Thermodynamic Properties of Ga-Te System

The partial pressures of Te2 in equilibrium with Ga(1-x)Te(x) samples were measured by optical absorption technique from 450 to 1100 C for compositions, x, between 0.333 and 0.612. To establish the relationship between the partial pressure of Te, and the measured optical absorbance, the calibration runs of a pure Te sample were also conducted to determine the Beer's Law constants. The partial pressures of Te2 in equilibrium with the GaTe(s) and Ga2Te3(s)compounds, or the so-called three-phase curves, were established. These partial pressure data imply the existence of the Ga3Te4(s) compound. From the partial pressures of Te2 over the Ga-Te melts, partial molar enthalpy and entropy of mixing for Te were derived and they agree reasonable well with the published data. The activities of Te in the Ga-Te melts were also derived from the measured partial pressures of Te2. These data agree well with most of the previous results. The possible reason for the high activity of Te measured for x less than 0.60 is discussed.

Su, Ching-Hua↗

DOE OSTI2021

Extraordinary role of Zn in enhancing thermoelectric performance of Ga-doped n-type PbTe

Although Ga doping can weaken the electron phonon coupling in n-type PbTe, Ga-doped PbTe has a relatively low carrier concentration (n) and high lattice thermal conductivity (κ lat ), resulting in a lower figure of merit (ZT) compared with those of other top-performing n-type PbTe-based thermoelectric materials. Herein, we report the extraordinary role of Zn in enhancing the thermoelectric performance of Ga-doped PbTe. It is discovered that Zn can simultaneously improve the electronic transport properties and decrease the κlat of Ga-doped PbTe, thereby affording a record high ZT avg ~ 1.26 at 400–873 K, with a maximum ZT value of 1.55 at 723 K. The isoelectronic substitution of Zn for Pb in Ga-doped PbTe increases the electrical conductivity and n by inducing the nucleation and growth of Ga 2 Te 3 in the second phase. The formation of Ga 2 Te 3 results in nonstoichiometry and Te deficiency in the PbTe matrix, which increases the number of electron carriers. Additionally, discordant Zn and Ga atoms with displacing off-center from the ideal octahedral positions, as well as Ga 2 Te 3 nanocrystals ranging from 30 to 200 nm coherently embedded into the PbTe matrix effectively weaken the phonon modes and scatter heat-carrying phonons, resulting in a significant reduction in κ lat .

36 MATERIALS SCIENCE↗