Startseite Pressure and size dependent investigation of ultrasonic and thermal properties of ScRu intermetallic
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Pressure and size dependent investigation of ultrasonic and thermal properties of ScRu intermetallic

  • Mohd Aftab Khan , Mahendra Kumar , Chandreshvar Prasad Yadav ORCID logo EMAIL logo und Dharmendra Kumar Pandey
Veröffentlicht/Copyright: 13. April 2021

Abstract

The present work is focused on the determination of elastic, mechanical, ultrasonic and thermal properties of ScRu intermetallic under the variation of pressure 0–60 GPa and particle size 5–40 nm. Initially, the second order elastic constants (SOECs) have been computed under a potential model approach, in which interaction potential is defined by Coulomb and Born–Mayer potentials. Later on, the estimation of mechanical, ultrasonic and thermo-physical parameters has been performed using SOECs. The ultrasonic velocities are estimated in the same pressure/particle size range for wave propagation along 〈100〉 crystallographic direction. It is found that elastic constants, ultrasonic velocities, Debye average velocity, specific heat at constant volume, thermal energy density, thermal conductivity and melting point enhance with increase in pressure and decay in particle size in chosen intermetallic. The analysis of the obtained results reveals that the elastic, mechanical and thermal properties of ScRu intermetallic shall enhance effectively under pressure in comparison to decay in particle size.


Corresponding author: Chandreshvar Prasad Yadav, Department of Physics, P.P.N. (P.G.) College, Kanpur, UP208 001, India, E-mail: .

Acknowledgement

Authors express their high gratitude to Prof. R. R. Yadav, Department of Physics, University of Allahabad, Allahabad and Prof. Devraj Singh, V.B.S. Purvanchal University, Jaunpur for their valuable discussion and support during the course of manuscript preparation.

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

References

[1] S. Huang and R. Z. Li, “A theoretical study of the elastic and thermal properties of ScRu compound under pressure,” Phys. Scripta, vol. 89, p. 065702, 1981.10.1088/0031-8949/89/6/065702Suche in Google Scholar

[2] R. Wang and S. Wang, “First-principles phonon calculations on the lattice dynamics and thermodynamics of rare-earth intermetallics TbCu and TbZn,” Intermetallics, vol. 43, p. 65, 2013. https://doi.org/10.1016/j.intermet.2013.07.008.Suche in Google Scholar

[3] K. GschneidnerJr and A. M. Russell, “A family of ductile intermetallic compounds,” Nat. Mater., vol. 2, p. 587, 2003. https://doi.org/10.1038/nmat958.Suche in Google Scholar

[4] R. P. Singh and V. K. Singh, “Assessment of practical/clinical skills,” Am. J. Condens Matter. Phys., vol. 3, no. 5, p. 123, 2013. https://doi.org/10.5005/jp/books/11904_20.Suche in Google Scholar

[5] A. M. Russell, “Ductility in intermetallic compounds,” Adv. Eng. Mater., vol. 5, p. 629, 2003. https://doi.org/10.1002/adem.200310074.Suche in Google Scholar

[6] F. L. Battye and H. Schulz, “Ultraviolet photoemission from intermetallic compounds with CsCl structure: ScAg, ScPd, ScIr and ScRu,” J. Phys. F Met. Phys., vol. 8, p. 709, 1978. https://doi.org/10.1088/0305-4608/8/4/022.Suche in Google Scholar

[7] B. G. Korshunov and A. M. Reznik, Skandii (Scandium), Moscow, Metallurgiya, 1987.Suche in Google Scholar

[8] B. Perrin and P. Descouts, “Electronic structure of intermetallic compounds with CsCl structure: NMR relaxation times,” J. Phys. F. Met. Phys., vol. 9, p. 673, 1979. https://doi.org/10.1088/0305-4608/9/4/014.Suche in Google Scholar

[9] B. Y. Kotur, “Scandium binary and ternary alloy systems and intermetallic compounds,” Croat. Chem. Acta, vol. 71, p. 635, 1998.10.1002/chin.199901247Suche in Google Scholar

[10] D. Seipler and B. Bremicker, “Electronic structure of intermetallic compounds with CsCl structure,” J. Phys. F. Met. Phys., vol. 7, p. 599, 1977. https://doi.org/10.1088/0305-4608/7/4/012.Suche in Google Scholar

[11] J. Kubler, “Electronic structure of ScRu, ScRh, ScPd, and ScAg,” J. Phys. F. Met. Phys., vol. 8, p. 2301, 1978. https://doi.org/10.1088/0305-4608/8/11/015.Suche in Google Scholar

[12] D. Seipler and B. Elschner, “Electron spin resonance of Gd in intermetallic compounds with CsCl structure,” Phys. Lett. A, vol. 55, p. 115, 1975. https://doi.org/10.1016/0375-9601(75)90148-6.Suche in Google Scholar

[13] K. A. Gschneidner and Ji. Min, “Influence of the electronic structure on the ductile behavior of B2 CsCl-type AB intermetallics,” Acta Mater, vol. 57, p. 5876, 2009. https://doi.org/10.1016/j.actamat.2008.08.048.Suche in Google Scholar

[14] N. Arıkan and S. Ugur, “Structural, elastic, electronic and phonon properties of scandium-based compounds ScX3(X=Ir, Pd, Pt and Rh): an ab initio study,” Comput. Mater. Sci., vol. 79, p. 703, 2013.10.1016/j.commatsci.2013.07.041Suche in Google Scholar

[15] B. Fatima and S. S. Chouhan, “Structural, electronic, elastic and mechanical properties of ScNi, ScPd and ScPt: A FP-LAPW study,” Adv. Mater. Res., vol. 1047, p. 27, 2014. https://doi.org/10.4028/www.scientific.net/amr.1047.27.Suche in Google Scholar

[16] R. Iqbal and Z. Ali, “Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM = Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au),” Int. J. Mod. Phys. B, vol. 31, p. 1750263, 2017. https://doi.org/10.1142/s0217979217502630.Suche in Google Scholar

[17] M. L. Ali and M. Z. Rahman, “Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study,” Int. J. Mod. Phys. B, vol. 32, p. 0121, 2018. https://doi.org/10.1142/s0217984917503201.Suche in Google Scholar

[18] B. Fatima and S. S. Chouhan, “Theoretical prediction of the electronic structure, bonding behavior and elastic moduli of scandium intermetallics,” Intermetallics, vol. 53, p. 129, 2014. https://doi.org/10.1016/j.intermet.2014.03.019.Suche in Google Scholar

[19] D. Cahill and S. K. Watson, “Lower limit to the thermal conductivity of disordered crystals,” Phys. Rev. B, vol. 46, p. 6131, 1992. https://doi.org/10.1103/physrevb.46.6131.Suche in Google Scholar PubMed

[20] J. P. McDonald and M. A. Rodriguez, “Rare-earth transition-metal intermetallic compounds produced via self-propagating, high-temperature synthesis,” J. Math. Res., vol. 25, no. 4, p. 718, 2010. https://doi.org/10.1557/jmr.2010.0091.Suche in Google Scholar

[21] J. Bala, D. Singh, D. K. Pandey, and C. P. Yadav, “Mechanical and thermophysical properties of ScM (M: Ru, Rh, Pd, Ag) intermetallics,” Int. J. Thermophys., vol. 41, p. 46, 2020. https://doi.org/10.1007/s10765-020-02624-9.Suche in Google Scholar

[22] S. Riva, K. V. Yusenko, N. P. Lavery, D. J. Jarvis, and S. G. R. Brown, “The scandium effect in multicomponent alloys,” Int. Mater. Rev., vol. 61, no. 3, pp. 1–26, 2016. https://doi.org/10.1080/09506608.2015.1137692.Suche in Google Scholar

[23] M. Rajagopalan and M. Sundareswari, “First‐principles study of elastic properties of ScX ( X = Ag, Cu, Pd, Ru and Rh) compounds,” AIP Conf. Proc., vol. 1349, p. 801, 2011.10.1063/1.3606100Suche in Google Scholar

[24] K. Brugger, “Thermodynamic definition of higher order elastic coefficients,” Phys. Rev., vol. 133, no. 6A, p. A1611, 1964. https://doi.org/10.1103/physrev.133.a1611.Suche in Google Scholar

[25] R. L. Singhal, Solid State Physics, Meerut, India, KedarNath Ram Nath & Co. Publishers, 2003, p. 73.Suche in Google Scholar

[26] R. R. Yadav and D. K. Pandey, “Size dependent acoustical properties of bcc metal,” Acta Phys. Pol., A, vol. 107, p. 933, 2005. https://doi.org/10.12693/aphyspola.107.933.Suche in Google Scholar

[27] C. P. Yadav, D. K. Pandey, and D. Singh, “Elastic and ultrasonic studies on RM (R = Tb, Dy, Ho, Er, Tm; M = Zn, Cu) compounds,” Z. Naturforsch., vol. 74, p. 1123, 2019. https://doi.org/10.1515/zna-2019-0041.Suche in Google Scholar

[28] A. Khan, C. P. Yadav, D. K. Pandey, and D. Singh, “Elastic and thermo-acoustic study of YM intermetallics,” J. Pure Appl. Ultrason., vol. 41, p. 1, 2019.Suche in Google Scholar

[29] D. K. Pandey and C. P. Yadav, “Thermophysical and ultrasonic properties of GdCu under the effect of temperature and pressure,” Phase Transitions, vol. 93, no. 3, p. 338, 2020. https://doi.org/10.1080/01411594.2020.1727904.Suche in Google Scholar

[30] M. A. Lokman and Z. Rahaman, “The structural, elastic and optical properties of ScM (M = Rh, Cu, Ag, Hg) intermetallic compounds under pressure by ab initio simulations,” Int. J. Comput. Mater. Sci. Eng., vol. 5, p. 1650024, 2016.10.1142/S204768411650024XSuche in Google Scholar

[31] W. H. Qi and M. P. Wang, “Size and shape dependent lattice parameters of metallic nanoparticles,” J. Nanopart. Res. Physics., vol. 7, p. 51, 2005. https://doi.org/10.1007/s11051-004-7771-9.Suche in Google Scholar

[32] C. P. Yadav and D. K. Pandey, “Pressure dependent ultrasonic characterization of nano-structured w-BN,” Ultrasonics, vol. 96, p. 181, 2019. https://doi.org/10.1016/j.ultras.2019.01.008.Suche in Google Scholar PubMed

[33] M. Moakafi and R. Khenata, “Elastic, electronic and optical properties of cubic antiperovskites SbNCa3 and BiNCa3,” Elastic, Comput. Mat. Sci., vol. 46, p. 1051, 2009. https://doi.org/10.1016/j.commatsci.2009.05.011.Suche in Google Scholar

[34] D. K. Pandey and S. Pandey, Acoustic Waves: Ultrasonic: A Technique of Material Characterization, D. W. Dissanayake, Ed., Croatia, Scio Publisher, 2010, p. 397.Suche in Google Scholar

[35] T. Morelli Donald and A. Slack Glen, High Lattice Thermal Conductivity Solids in High Thermal Conductivity of Materials, vol. 37, S. L. Shinde and J. Goela, Eds., New York, Springer Publisher, 2006.10.1007/0-387-25100-6_2Suche in Google Scholar

[36] D. E. Gray, AIP Handbook, 3rd edn. New York, McGraw Hill Co. Inc., 1956, pp. 4-44, 4-57.Suche in Google Scholar

[37] C. P. Yadav and D. K. Pandey, “Temperature dependent ultrasonic characterization of wurtzite boron nitride,” J. Pure Appl. Ultrason., vol. 39, p. 103, 2017.Suche in Google Scholar

Received: 2021-01-10
Revised: 2021-03-11
Accepted: 2021-03-26
Published Online: 2021-04-13
Published in Print: 2021-07-27

© 2021 Walter de Gruyter GmbH, Berlin/Boston

Heruntergeladen am 3.12.2025 von https://www.degruyterbrill.com/document/doi/10.1515/zna-2021-0010/pdf?lang=de
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