the state of fe57 in pure and oxidized tin chalcogenides by mössbauer spectroscopy

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Solid State Communications, Vol. 18, p. v, 1976. Pergamon Press. Printed in Great Britain Abstracts of Articles to be Published in The Journal of Physics and Chemistry of Solids ‘J Phys. Chem. Solids (to be published)’ should be cited in references to material quoted from this section prior to the publication of the relevant article. 1. APPLICATION OF FINITE STRAIN THEORY relation agrees with the shock-wave Hugoniot up to TO NON-CUBIC CRYSTALS 750 kbar (P/K 0 = 1.2), although both calculated and J. Scott Weaver, Department of Physics, Queens Hugoniot P—V relations disagree with X-ray compres- College of the City University of New York, sion data. At pressures greater than 300 kbar, the cal- Flushing, NY 11367, U.S.A. culated axial ratio of zinc approaches that for other hexagonal metals (c/a 1.63). The application of finite strain theory to a crystal of orthorhombic or higher elastic symmetry, which is Received 25 August 1975 subjected to a purely extensional deformation parallel to the crystallographic axes, yields stress—strain rela- 2. THE STATE OF Fe 57 IN PURE AND OXI- tions and effective elastic constants for hydrostatic DIZED TIN CHALCOGENIDES BY MOSS- stresses. Alternative formulations of the theory are ob- BAUER SPECTROSCOPY tamed when the free energy is written as Taylor series in Vincenzo Fano, MASPEC Laboratory of the E, the invariant analogue of the Eulerian strain tensor, C.N.R., Parma, Italy; and Ida Ortalli, Physics or ~, the Lagrangian strain tensor. In most cases, the Institute, University of Parma and G.N.S.M., formulation in terms of E provides a better approxi- Parma Italy. mation when the Taylor series are truncated at the second or third order. In the case of cubic crystals, the A Mossbauer spectroscopy study has been made of stress—strain relations reduce to the Birch equation. For the stabilization states of Fe57 in pure tin chalcogenides. non-cubic crystals, the F— V relations calculated using The values of the isomer shifts and the quadrupole split- the non-cubic and Birch equations will differ due to the tings lead to the conclusion that iron presents the effects of elastic anisotropy. A comparison between the electronic configuration 3d54sx at high spin in the inter- second-order approximations of the non-cubic stress— stitial position. This result is confirmed varying the Fe57 strain relations and the cubic Birch equation suggests neighbours by partial substitution of tellurium with that the difference in volume will be less than 1% for oxygen. In this case, too, the values of MOssbauer para- most materials. The difference in volume is reduced meters confirm the same results. The quadrupole when the third-order approximations are used. When the moment present in pure SnTe doped Co57, and the shift third-order terms are retained, the stress—strain relations of isomer shift towards less positive values for the oxi- calculated using the Eulerian formulation agree with dizated samples have been qualitatively justified as well. measured linear compression data for quartz to 150 kbar Received 2 December 1974 (P/K 0 = 0.4). For zinc, the calculated pressure—volume Revised 14 November 1975 V

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Solid StateCommunications,Vol. 18, p. v, 1976. PergamonPress. Printedin GreatBritain

Abstracts of Articles to be Published in The Journal of

Physics and Chemistry of Solids‘J Phys. Chem. Solids (to be published)’ should be citedin references to material quoted from this section prior tothe publication of the relevant article.

1. APPLICATION OFFINITE STRAIN THEORY relationagreeswith the shock-waveHugoniotup toTO NON-CUBIC CRYSTALS 750kbar(P/K0= 1.2),althoughbothcalculatedand

J.ScottWeaver,Departmentof Physics,Queens HugoniotP—V relationsdisagreewith X-ray compres-Collegeof the City Universityof NewYork, sion data.At pressuresgreaterthan 300 kbar, the cal-Flushing,NY 11367,U.S.A. culatedaxial ratio of zinc approachesthat for other

hexagonalmetals(c/a 1.63).The applicationof finite strain theory to a crystal

of orthorhombicor higherelasticsymmetry,which is Received25 August1975subjectedto a purelyextensionaldeformationparallelto thecrystallographicaxes, yieldsstress—strainrela- 2. THE STATE OFFe

57 IN PUREAND OXI-tions and effectiveelasticconstantsfor hydrostatic DIZED TIN CHALCOGENIDESBY MOSS-stresses.Alternativeformulationsof the theoryareob- BAUER SPECTROSCOPYtamedwhenthe freeenergyis written asTaylorseriesin VincenzoFano,MASPEC Laboratoryof the

E, the invariant analogueof theEulerianstrain tensor, C.N.R.,Parma,Italy; and IdaOrtalli, Physicsor ~, the Lagrangianstrain tensor.In most cases,the Institute,University of Parmaand G.N.S.M.,formulation in termsof E providesa betterapproxi- ParmaItaly.mationwhentheTaylorseriesare truncatedat thesecondor third order. In thecaseof cubiccrystals,the A Mossbauerspectroscopystudyhasbeenmadeofstress—strainrelationsreduceto the Birch equation.For thestabilizationstatesof Fe57in puretin chalcogenides.non-cubiccrystals, theF— V relationscalculatedusing The valuesof the isomershifts andthequadrupolesplit-the non-cubicand Birch equationswill differ due to the tingslead to theconclusionthat iron presentstheeffectsof elasticanisotropy.A comparisonbetweenthe electronicconfiguration3d54sxat high spinin the inter-second-orderapproximationsof thenon-cubicstress— stitial position. This result is confirmedvaryingthe Fe57strain relationsand thecubicBirch equationsuggests neighboursby partialsubstitutionof tellurium withthat thedifferencein volume will be lessthan 1% for oxygen.In this case,too, thevaluesof MOssbauerpara-most materials.The differencein volume is reduced metersconfirm thesameresults.The quadrupolewhen the third-orderapproximationsare used.When the momentpresentin pureSnTedopedCo57,andthe shiftthird-ordertermsareretained,the stress—strainrelations of isomershift towardsless positivevaluesfor theoxi-calculatedusingtheEulerian formulationagreewith dizatedsampleshavebeenqualitativelyjustifiedaswell.measuredlinearcompressiondatafor quartzto 150kbar Received2 December1974(P/K

0 = 0.4).Forzinc, the calculatedpressure—volume Revised14 November1975

V