Thermodynamic properties of chromium antimonides

Goncharuk, L. V.; Lukashenko, G. M.

doi:10.1007/bf00791194

Cited by 4 publications

(5 citation statements)

References 8 publications

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“…The existence of low-temperature heat-capacity measurements for CrSb 2 makes it possible to judge the relative accuracy of the Δ G ° measurements . Using the values for S ° T for solid antimony obtained here, a value of Δ S ° of 19.44 J/(mol K) is calculated at 850 K, which compares best with the experimental results of Goncharuk and Lukashenko. , As a result, Δ G ° 850 from this study is combined with the heat-capacity results to generate a table of thermodynamic properties for CrSb 2 , provided as Table . The rapidly changing values of Δ H ° and Δ S ° as a function of temperature suggest that confirmation of the heat-capacity measurements would be of some interest.…”

Section: Groups 6 Andmentioning

confidence: 57%

“…The lack of Δ H ° measurements for chromium antimonides is made up for by four separate investigations of Δ G °, all using EMF measurements against a chromium cathode. Three of these investigations took advantage of the low melting point of the KCl–LiCl eutectic to use a molten-salt electrolyte; ,− Vecher and co-workers used a solid-electrolyte (CaF 2 ) cell instead. , The experimental temperatures are for the most part above 684 K, eliminating the magnetic transformation of CrSb as a concern. Tables and compare the results of the four investigations at 850 K. The Δ G ° values are reasonably similar, but Δ H ° and Δ S ° vary considerably.…”

Section: Groups 6 Andmentioning

confidence: 99%

“…Tables and compare the results of the four investigations at 850 K. The Δ G ° values are reasonably similar, but Δ H ° and Δ S ° vary considerably. The positive values of Δ H ° and Δ S ° seem unlikely; Goncharuk and Lukashenko ascribe this result to magnetic disordering within CrSb . Goryacheva performed a CALPHAD-type assessment for the Cr–Sb system, which generated optimized values of Δ H ° (−1.076 kJ/mol) and Δ S ° (3.42 J/(mol K)) for CrSb.…”

Section: Groups 6 Andmentioning

confidence: 99%

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Thermodynamic Properties of Solid Binary Antimonides

Schlesinger

2013

Chem. Rev.

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Section: Groups 6 Andmentioning

confidence: 57%

Section: Groups 6 Andmentioning

confidence: 99%

Section: Groups 6 Andmentioning

confidence: 99%

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Thermodynamic Properties of Solid Binary Antimonides

Schlesinger

2013

Chem. Rev.

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“…Concerning the formation enthalpy of ZnSb the experimental values (from -0.07 to -0.09 eV/atom) [12,[16][17] are relatively small and the DFT-GGA calculations are overestimating these results (about -0.035 eV/atom).…”

Section: Crystal Structure and Formation Energymentioning

confidence: 99%

“…Some studies of n-doped compounds with impurities such as In, Te or Se were also reported [9,11] but the zT was too low. In parallel there were also several studies of the thermodynamic properties of ZnSb and CdSb-ZnSb alloys with the same structure [12][13][14][15][16][17]. Since the nineties, due to the discovery of very good thermoelectric properties in Zn 4 Sb 3 [2] the main studies of Zn-Sb systems were dedicated to this last compound and the study of orthorhombic ZnSb became confidential.…”

Section: Introductionmentioning

confidence: 99%

Physical properties of thermoelectric zinc antimonide using first-principles calculations

et al. 2012

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Abstract:We report first principles calculations of the structural, electronic, elastic and vibrational properties of the semiconducting orthorhombic ZnSb compound. We study also the intrinsic point defects in order to eventually improve the thermoelectric properties of this already very promising thermoelectric material.Concerning the electronic properties, in addition to the band structure, we show that the Zn (Sb) crystallographically equivalent atoms are not exactly equivalent from the electronic point of view. Lattice dynamics, elastic and thermodynamic properties are found to be in good agreement with the experiments and they confirm the non equivalency of the zinc and antimony atoms from the vibrational point of view. The calculated elastic properties show a relatively weak anisotropy and the hardest direction is the y direction. We observe the presence of low energy modes involving both Zn and Sb atoms at about 5-6 meV, similarly to what has been found in Zn 4 Sb 3 and we suggest that the interactions of these modes with acoustic phonons could explain the relatively low thermal conductivity of ZnSb. Zinc vacancies are the most stable defects and this explains the intrinsic p-type conductivity of ZnSb.

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Heat capacity and thermodynamic properties of CrSb2 from 5 to 1050 K. Magnetic transition and enthalpy of decomposition

Alles¹,

Falk²,

Westrum³

et al. 1978

The Journal of Chemical Thermodynamics

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The heat capacity of CrSbz has been measured by adiabatic calorimetry from 5 to 991.3 K. At the latter temperature the CrSb,-phase decomposes into the CrSb-phase and an antimonyrich melt. The heat capacity of the two-phase mixture was measured from 991.3 to 1050 K. The heat capacity of CrSb, shows a small sharp h-type transition with a maximum at 274.1 K where the change from the antiferromagnetic to the paramagnetic state occurs. Thelow entropy of the clearly cooperative part of the transition, A& = 0.12 calth K-l mol-I, shows that this contribution is only a small part of the total. From an estimate of the lattice heat capacity of CrSbz outside the h-transition region we find an excess heat capacity amounting to about 1.7 calth K-l mol-l at 300 K, 1.6 calth K-l mol-' at 500 K, and 1.1 calth K-' mol-1 at 800 K, which we attribute to the population of excited electronic states in CrSbz. The total transitional entropy amounts to about 2.6 cal,,, K-l mol-1 at 900 K only slightly more than the R In 3 (= 2.17 calth K-l mol-') expected from randomization of two unpaired spins per chromium atom. The enthalpy of the peritectic decomposition of CrSb, at 991.3 K is (8325120) calth mol-I. The high heat capacity above 991 K is presumably related to the solution of CrSb(s) in the meh. Thermodynamic functions have been evaluated and the values of C,, {S"(T)-s"(O)}, and-{G"(T)-H'(O)]/T at 298.15 K are (19.66*0.02), (27.46*0.03), (14.OO9&0.014) calth K-l mol-I. CrSb, loses antimony on approaching the peritectic temperature and the composition of the decomposing phase is in the range CrSb,,,, to CrSbl.g5. To explore further the homogeneity range of the CrSba-phase some heat-capacity measurements on CrSb1.85 have also been carried out. Combination of the present results with standard Gibbs energies of formation at 850 K from the literature gives for CrSbz.ao: 298.

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Thermodynamic properties of chromium antimonides

Cited by 4 publications

References 8 publications

Thermodynamic Properties of Solid Binary Antimonides

Thermodynamic Properties of Solid Binary Antimonides

Physical properties of thermoelectric zinc antimonide using first-principles calculations

Heat capacity and thermodynamic properties of CrSb2 from 5 to 1050 K. Magnetic transition and enthalpy of decomposition

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