Araştırma Makalesi
BibTex RIS Kaynak Göster

Yıl 2018, , 116 - 126, 29.12.2018

Ahmet Bicer , Gokhan Surucu

https://doi.org/10.29002/asujse.451444

Öz

Kaynakça

  • [1] M. Vališka, J. Pospíšil, J. Prokleška, M. Diviš, A. Rudajevová, and V. Sechovský, Journal of the Physical Society of Japan, 81 (10) (2012) 104715.
  • [2] I.R. Shein and A.L. Ivanovskii, Intermetallics, 26 (2012) 1-7.
  • [3] I.R. Shein, Physica B, 406 (2011) 3525–3530.
  • [4] I.R. Shein and A.L. Ivanovskii, Phys. Rev. B, 83 (2011) 104501.
  • [5] V.V. Bannikov, I.R. Shein, A.L. Ivanovskii, Physica B, 407 (2012) 271–275.
  • [6] I.R. Shein and A.L. Ivanovskii, Phys. Rev. B, 84 (2011) 184509.
  • [7] I.R. Shein and A.L. Ivanovskii, J Supercond Nov Magn, 25 (2012) 151–154.
  • [8] E.D. Billington, S.A. Nickau, T. Farley, J.R. Ward, R.F. Sperring, T.E. Millichamp, and S.B. Dugdale, Journal of the Physical Society of Japan, 83(4) (2014) 044710.
  • [9] M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, M.C. Payne, J. Phys.: Condens. Matter, 14 (11) (2002) 2717.
  • [10] T.H. Fischer, J. Almlof, J. Phys. Chem., 96 (1992) 9768.
  • [11] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett., 77 (1996) 3865.
  • [12] N. Troullier, J.L. Martins, Phys. Rev. B, 43 (1993) 1991.
  • [13] H.J. Monkhorst, J.D. Pack, Phys. Rev. B, 13 (1976) 5188.
  • [14] J.H. Xu, T. Oguchi and A.J. Freeman, Phys. Rev. B, 35 (1987) 6940.
  • [15] J.H. Xu and A.J. Freeman, Phys. Rev. B, 40 (1989) 11927.
  • [16] J. Sun, H.T. Wang and N.B. Ming, Appl. Phys. Lett., 84 (2004) 4544.
  • [17] Y. Shena and Z. Zhou, J. Appl. Phys., 103 (2008) 074113.
  • [18] M. Dadsetani and A. Pourghazi, Phys. Rev. B, 73 (2006) 195102.
  • [19] F. Wooten, Optical Properties of Solids (Academic, New York, 1972).
  • [20] N. Korozlu, K. Colakoglu and E. Deligoz, J. Phys.: Condens. Matter, 21 (2009) 175406.
  • [21] R. Khenata, A. Bouhemadou, M. Sahnoun, A.H. Reshak, H. Baltache and M. Rabah, Comput. Mater. Sci., 38 (2006) 29.
  • [22] B. Montanari, N.M. Harrison, Chem. Phys. Lett., 364 (2002) 528-534.
  • [23] S. de Gironcoli, S. dal Corso, A. Giannozzi, P. Rev. Mod. Phys., 73 (2001) 515-562.

The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study

Yıl 2018, , 116 - 126, 29.12.2018

Ahmet Bicer , Gokhan Surucu

https://doi.org/10.29002/asujse.451444

Öz

The electronic, optical, and lattice-dynamical properties of YIr2X2(X=Si,
Ge) compounds are investigated using the first-principles plane-wave
pseudopotential method within the GGA approximation. In particular, the lattice
constant, density of state, dielectric constant, refractive index and phonon
properties are calculated and discussed. The calculated lattice parameters are
in good agreement with previous experimental and theoretical data, whereas the
formation enthalpies of the compounds are -1.149 and -0.841 eV/f.u. indicating
that the compounds are stable in the body-centered tetragonal structure. In
addition, real and imaginary parts of the static dielectric constant are 52.26
and 72.68, respectively.

Anahtar Kelimeler

Refractive Index Dielectric Function Phonon Density Functional Theory

Kaynakça

  • [1] M. Vališka, J. Pospíšil, J. Prokleška, M. Diviš, A. Rudajevová, and V. Sechovský, Journal of the Physical Society of Japan, 81 (10) (2012) 104715.
  • [2] I.R. Shein and A.L. Ivanovskii, Intermetallics, 26 (2012) 1-7.
  • [3] I.R. Shein, Physica B, 406 (2011) 3525–3530.
  • [4] I.R. Shein and A.L. Ivanovskii, Phys. Rev. B, 83 (2011) 104501.
  • [5] V.V. Bannikov, I.R. Shein, A.L. Ivanovskii, Physica B, 407 (2012) 271–275.
  • [6] I.R. Shein and A.L. Ivanovskii, Phys. Rev. B, 84 (2011) 184509.
  • [7] I.R. Shein and A.L. Ivanovskii, J Supercond Nov Magn, 25 (2012) 151–154.
  • [8] E.D. Billington, S.A. Nickau, T. Farley, J.R. Ward, R.F. Sperring, T.E. Millichamp, and S.B. Dugdale, Journal of the Physical Society of Japan, 83(4) (2014) 044710.
  • [9] M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, M.C. Payne, J. Phys.: Condens. Matter, 14 (11) (2002) 2717.
  • [10] T.H. Fischer, J. Almlof, J. Phys. Chem., 96 (1992) 9768.
  • [11] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett., 77 (1996) 3865.
  • [12] N. Troullier, J.L. Martins, Phys. Rev. B, 43 (1993) 1991.
  • [13] H.J. Monkhorst, J.D. Pack, Phys. Rev. B, 13 (1976) 5188.
  • [14] J.H. Xu, T. Oguchi and A.J. Freeman, Phys. Rev. B, 35 (1987) 6940.
  • [15] J.H. Xu and A.J. Freeman, Phys. Rev. B, 40 (1989) 11927.
  • [16] J. Sun, H.T. Wang and N.B. Ming, Appl. Phys. Lett., 84 (2004) 4544.
  • [17] Y. Shena and Z. Zhou, J. Appl. Phys., 103 (2008) 074113.
  • [18] M. Dadsetani and A. Pourghazi, Phys. Rev. B, 73 (2006) 195102.
  • [19] F. Wooten, Optical Properties of Solids (Academic, New York, 1972).
  • [20] N. Korozlu, K. Colakoglu and E. Deligoz, J. Phys.: Condens. Matter, 21 (2009) 175406.
  • [21] R. Khenata, A. Bouhemadou, M. Sahnoun, A.H. Reshak, H. Baltache and M. Rabah, Comput. Mater. Sci., 38 (2006) 29.
  • [22] B. Montanari, N.M. Harrison, Chem. Phys. Lett., 364 (2002) 528-534.
  • [23] S. de Gironcoli, S. dal Corso, A. Giannozzi, P. Rev. Mod. Phys., 73 (2001) 515-562.
Toplam 23 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Mühendislik
Bölüm Araştırma Makalesi
Yazarlar

Ahmet Bicer 0000-0002-7743-6078

Gokhan Surucu

Yayımlanma Tarihi 29 Aralık 2018
Gönderilme Tarihi 6 Ağustos 2018
Kabul Tarihi 17 Eylül 2018
Yayımlandığı Sayı Yıl 2018

Kaynak Göster

APA Bicer, A., & Surucu, G. (2018). The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study. Aksaray University Journal of Science and Engineering, 2(2), 116-126. https://doi.org/10.29002/asujse.451444

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