Evaluation of mechanical properties of Bi₁₂SiO₂₀ sillenite using first principles and nanoindentation

References

• T. Wang, X. Liu, Q. Men, C. Ma, Y. Liu, P. Huo and Y. Yan, A Z-scheme TiO2 quantum dots fragment-Bi12TiO20 composites for enhancing photocatalytic activity. Renew. Energy 147 (2020), pp. 856–863.
   Web of Science ®Google Scholar
• X. Yu, X. Zhang, J. Zhao, L. Xu and J. Yan, Flower-like shaped Bi12TiO20/g-C3N4 heterojunction for effective elimination of organic pollutants: preparation, characterization, and mechanism study. Appl. Organomet. Chem. 34 (2020), pp. e5702.
   Web of Science ®Google Scholar
• C.N. Lv, L. Zhang, J.S. Hu, X.H. Huang and C.M. Hou, Band engineering of Ag-Bi12GeO20-Bi2WO6 composite photocatalyst: interface regulation and enhanced photocatalytic performance. Ceram. Int. 45 (2019), pp. 5249–5258.
   Web of Science ®Google Scholar
• M. Kowalczyk, T.F. Ramazanova, V.D. Grigoryeva, V.N. Shlegel, M. Kaczkan, B. Fetliński and M. Malinowski, Optical investigation of Eu3+ doped Bi12GeO20 (BGO) crystals. Crystals 10 (2020), pp. 285.
   Web of Science ®Google Scholar
• M.A. Amanova, V.V. Shepelevich, A.V. Makarevich and V.N. Navnyko, Influence of inverse piezoelectric effect, photoelasticity, and optical activity on the diffraction efficiency of transmissing holograms in photorefractive crystal Bi12SiO20. J. Appl. Spectrosc. 87 (2020), pp. 349–356.
   Web of Science ®Google Scholar
• K.P. Filar and V.I. Nizhankovskii, Influence of light on the magnetoelectric effect in Fe-doped Bi12SiO20. Eur. Phys. J. B 91 (2018), pp. 6.
   Web of Science ®Google Scholar
• H.R. Mahmoud, M. Saif and R. Fouad, Novel multi-functional Pr3+:Bi12SiO20 luminescent nano sensor for latent human prints, iron ions in drinking water and anti-counterfeiting application. J. Alloy. Compd. 805 (2019), pp. 887–895.
   Web of Science ®Google Scholar
• V.M. Skorikov, Y.F. Kargin, A.V. Egorysheva, V.V. Volkov and M. Gospodinov, Growth of sillenite-structure single crystals. Inorg. Mater. 41 (2005), pp. S24–S46.
   Web of Science ®Google Scholar
• J. Frejlich and P.M. Garcia, Advances in real-time holographic interferometry for the measurement of vibrations and deformations. Opt. Laser. Eng. 32 (1999), pp. 515–527.
   Web of Science ®Google Scholar
• K.P. Filar, G.P. Gajda and V.I. Nizhankovskii, Influence of light on the magnetoelectric effect in Cr-doped Bi12TiO20. Phys. Status Solidi B 253 (2016), pp. 473–477.
   Google Scholar
• V.S. Gorelik, G.I. Dovbeshko, A.V. Evchik, V.N. Moiseenko and M.P. Dergachev, Growth and optical properties of synthetic opal filled with Bi12SiO20 and Bi12GeO20 nanocrystals. Inorg. Mater. 49 (2013), pp. 802–806.
   Web of Science ®Google Scholar
• S. Neov, V. Marinova, M. Reehuis and R. Sonntag, Neutron-diffraction study of Bi12MO20 single crystals with sillenite structure (M = Si, Si0.995Mn0.005, Bi0.53Mn0.47). Appl. Phys. A: Mater. Sci. Process. 74 (2002), pp. S1016–S1018.
   Web of Science ®Google Scholar
• M. Isik, S. Delice, N.M. Gasanly, N.H. Darvishov and V.E. Bagiev, Temperature-dependent band gap characteristics of Bi12SiO20 single crystals. J. Appl. Phys. 126 (2019), pp. 245703.
   Web of Science ®Google Scholar
• M. Isik, S. Delice, H. Nasser, N.M. Gasanly, N.H. Darvishov and V.E. Bagiev, Optical characteristics of Bi12SiO20 single crystals by spectroscopic ellipsometry. Mat. Sci. Semicon. Proc. 120 (2020), pp. 105286.
   Web of Science ®Google Scholar
• B. Riscob, V.G.M. Shkjir, N. Vijayan, K.K. Maurya, K.K. Rao and G. Bhagavannarayana, Synthesis, crystal growth and mechanical properties of Bismuth Silicon Oxide (BSO) single crystal. J. Alloy. Compd. 588 (2014), pp. 242–247.
   Web of Science ®Google Scholar
• T.I. Milenov, P.A. Botev, P.M. Rafailov and M.M. Gospodinov, X-ray diffraction topography observations of the core in Bi12SiO20 crystals doped with Mn. Mater. Sci. Eng. B 106 (2004), pp. 148–154.
   Google Scholar
• M.E.K. Wiegel and P. Becla, Comparative analysis of electro-optic properties in bismuth silicate grown by the Czochralski, Bridgman-Stockbarger, and hydrothermal techniques. Opt. Mater. 26 (2004), pp. 471–478.
   Web of Science ®Google Scholar
• Y.F. Zhou, J.C. Wang, L.A. Tang, Z.L. Pan, N.F. Chen, W.C. Chen, Y.Y. Huang and W. He, Space growth studies of Ce-doped Bi12SiO20 single crystal. Mater. Sci. Eng. B 113 (2004), pp. 179–183.
   Google Scholar
• M. Wintermantel and I. Biaggio, Temperature-dependent electron mobility and large polaron interpretation in Bi12SiO20. Phys. Rev. B 67 (2003), pp. 165108.
   Web of Science ®Google Scholar
• I.F. Vasconcelos, R.S. De Figueiredo, S.J. Lima and A.S.B. Sombra, Bismuth silicon oxide (Bi12SiO20-BSO) and bismuth titanium oxide (Bi12TiO20-BTO) obtained by mechanical alloying. J. Mater. Sci. Lett. 18 (1999), pp. 1871–1874.
   Google Scholar
• H. Sekhar, P.P. Kiran and D.N. Rao, Structural, linear and enhanced third-order nonlinear optical properties of Bi12SiO20 nanocrystals. Mater. Chem. Phys. 130 (2011), pp. 113–120.
   Web of Science ®Google Scholar
• Y. Wu, J. Lu, M. Li, J. Yuan, P. Wu, X. Chang, C. Liu and X. Wang, Bismuth silicate photocatalysts with enhanced light harvesting efficiency by photonic crystal. J. Alloy Compd. 810 (2019), pp. 151839.
   Web of Science ®Google Scholar
• Z. Lazarevic, S. Kostic, V. Radojevic, M. Romcevic, M. Gilic, M.P. Damjanovic and N. Romcevic, Raman spectroscopy of bismuth silicon oxide single crystals grown by the Czochralski technique. Phys. Scr. T157 (2013), pp. 014046.
   Web of Science ®Google Scholar
• M. Isik, G. Surucu, A. Gencer and N.M. Gasanly, Electronic, optical and thermodynamic characteristics of Bi12SiO20 sillenite: first principle calculations. Mater. Chem. Phys. 267 (2021), pp. 124711.
   Web of Science ®Google Scholar
• G. Kresse and J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6 (1996), pp. 15–50.
   Web of Science ®Google Scholar
• J.P. Perdew, K. Burke and M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77 (1996), pp. 3865–3868.
   PubMed Web of Science ®Google Scholar
• P.E. Blöchl, Projector augmented-wave method. Phys. Rev. B 50 (1994), pp. 17953–17979.
   PubMed Web of Science ®Google Scholar
• G. Kresse and D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59 (1999), pp. 1758–1775.
   Web of Science ®Google Scholar
• J.D. Pack and H.J. Monkhorst, Special points for Brillouin-zone integrations – a reply. Phys. Rev. B 16 (1977), pp. 1748–1749.
   Web of Science ®Google Scholar
• Y. Le Page and P. Saxe, Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress. Phys. Rev. B 65 (2002), pp. 104104.
   Web of Science ®Google Scholar
• D. Healy, N.E. Timms and M.A. Pearce, The variation and visualisation of elastic anisotropy in rock-forming minerals. Solid Earth 11 (2020), pp. 259–286.
   Web of Science ®Google Scholar
• J.W. Jaeken and S. Cottenier, Solving the christoffel equation: phase and group velocities. Comput. Phys. Commun. 207 (2016), pp. 445–451.
   Web of Science ®Google Scholar
• F.I. Fedorov and F.I. Fedorov, General Equations of the Theory of Elasticity, in: Theory Elastic Waves Cryst, Springer, New York, 1968.
   Google Scholar
• G. Kresse and J. Hafner, Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47 (1993), pp. 558–561.
   Web of Science ®Google Scholar
• M. Born, On the stability of crystal lattices. I. Math. Proc. Cambridge Philos. Soc. 36 (1940), pp. 160–172.
   Google Scholar
• E. Haussühl, Elastic properties of single crystal Bi12SiO20 as a function of pressure and temperature and acoustic attenuation effects in Bi12MO20 (M = Si, Ge and Ti). Mater. Res. Express 7 (2020), pp. 025701.
   Web of Science ®Google Scholar
• H. Koc, S. Palaz, S. Simsek, A.M. Mamedov and E. Ozbay, Elastic and optical properties of sillenites: first principle calculations. Ferroelectrics 557(1) (2020), pp. 98–104.
   Web of Science ®Google Scholar
• W. Voigt, Lehrbuch der kristallphysik. Leipzig 2 (1928).
   Google Scholar
• A. Reuss, Berechnung der plastischen formanderungsgeschwindigkeiten bei voraussetzung der schubspannungsfließbedingung. ZAMM J. Appl. Math. 9 (1929), pp. 49–58.
   Google Scholar
• R. Hill, The elastic behaviour of a crystalline aggregate. Proc. Phys. Soc. Sect. A. 65 (1952), pp. 349–354.
   Web of Science ®Google Scholar
• M.A. Hadi, Superconducting phases in a remarkable class of metallic ceramics. J. Phys. Chem. Sol. 138 (2020), pp. 109275.
   Web of Science ®Google Scholar
• M.A. Hadi, S.H. Naqib, S.R.G. Christopoulos, A. Chroneos and A.K.M.A. Islam, Mechanical behavior, bonding nature and defect processes of Mo2ScAlC2: a new ordered MAX phase. J. Alloys Compd. 724 (2017), pp. 1167–1175.
   Web of Science ®Google Scholar
• S.F. Pugh, Relations between the elastic moduli and the plastic properties of polycrystalline pure metals. Philos. Mag. 45 (1954), pp. 823–843.
   Web of Science ®Google Scholar
• K. Lau and A.K. McCurdy, Elastic anisotropy factors for orthorhombic, tetragonal, and hexagonal crystals. Phys. Rev. B 58 (1998), pp. 8980–8984.
   Web of Science ®Google Scholar
• A. Gencer, O. Surucu, G. Surucu and E. Deligoz, Anisotropic mechanical properties of Tl4Ag18Te11 compound with low thermal conductivity. J. Solid State Chem. 289 (2020), pp. 121469.
   Web of Science ®Google Scholar
• W. Bao, D. Liu, P. Li and Y. Duan, Elastic anisotropies and thermal properties of cubic TMIr (TM = Sc, Y,Lu, Ti, Zr and Hf): A DFT calculation. Mater. Res. Express 6 (2019), pp. 086574.
   Google Scholar
• W. Zhang, H.Z. Song, Z. Zhang, H. Luo, Y. Jiang, X. Xie, C. Yao, L. Yuan, J. Deng, W. Hu, Q. Chen, H. Huang, Q. Dai, X. Hao and Q. Liu, Determination of mechanical behaviors of Ho3+:BaY2F8 single crystals by nanoindentation. Ceram. Int. 45 (2019), pp. 21751–21758.
   Web of Science ®Google Scholar
• Y. Ma, X.W. Huang, W. Hang, M. Liu, Y.X. Song, J.L. Yuan and T.H. Zhang, Nanoindentation size effect on stochastic behavior of incipient plasticity in a LiTaO3 single crystal. Eng. Fract. Mech. 226 (2020), pp. 106877.
   Web of Science ®Google Scholar
• A. Rambabu and K.C.J. Raju, Impact of Sm-substitution and microwave sintering on dielectric and mechanical properties of SrBi4Ti4O15 ceramics. J. Mater. Sci. Mater. El 31 (2020), pp. 19698–19712.
   Web of Science ®Google Scholar
• A.M. Grishin, Hardness, young’s modulus and elastic recovery in magnetron sputtered amorphous AlMgB14 films. Crystals 10 (2020), pp. 823.
   Web of Science ®Google Scholar
• H.P. Wampler and A. Ivanisevic, Nanoindentation of gold nanoparticles functionalized with proteins. Micron 40 (2009), pp. 444–448.
   PubMed Web of Science ®Google Scholar
• X.D. Li and B. Bhushan, A review of nanoindentation continuous stiffness measurement technique and its applications. Mater. Charact. 48 (2002), pp. 11–36.
   Web of Science ®Google Scholar
• W.C. Oliver and G.M. Pharr, An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experiments. J. Mater. Res. 7 (1992), pp. 1564–1583.
   Web of Science ®Google Scholar
• S.R. Jian, S.A. Ku, C.W. Luo and J.Y. Juang, Nanoindentation of GaSe thin films. Nanosc. Res. Lett. 7 (2012), pp. 403.
   PubMed Web of Science ®Google Scholar
• S.M. Aouadi, Structural and mechanical properties of TaZrN films: experimental and ab initio studies. J. Appl. Phys. 99 (2006), pp. 053507.
   Web of Science ®Google Scholar
• C. Lamuta, D. Campi, A. Cupolillo, Z.S. Aliev, M.B. Babanly, E.V. Chulkov, A. Politano and L. Pagnotta, Mechanical properties of Si2Te3 topological insulator investigated by density functional theory and nanoindentation. Scr. Mater. 121 (2016), pp. 50–55.
   Web of Science ®Google Scholar