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Yıl 2018, Cilt 2, Sayı 2, 116 - 126, 29.12.2018
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, Cilt 2, Sayı 2, 116 - 126, 29.12.2018
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.

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.

Ayrıntılar

Birincil Dil İngilizce
Konular Mühendislik
Yayınlanma Tarihi December 2018
Bölüm Research Article
Yazarlar

Ahmet BİCER (Sorumlu Yazar)
MEHMET AKIF ERSOY UNIVERSITY
0000-0002-7743-6078
Türkiye


Gokhan SURUCU
AHI EVRAN UNIVERSITY
Türkiye

Yayımlanma Tarihi 29 Aralık 2018
Başvuru Tarihi 6 Ağustos 2018
Kabul Tarihi 17 Eylül 2018
Yayınlandığı Sayı Yıl 2018, Cilt 2, Sayı 2

Kaynak Göster

Bibtex @araştırma makalesi { asujse451444, journal = {Aksaray University Journal of Science and Engineering}, issn = {}, eissn = {2587-1277}, address = {Aksaray Üniversitesi, Fen Bilimleri Enstitüsü, Merkez Kampüs, 68100 Aksaray}, publisher = {Aksaray Üniversitesi}, year = {2018}, volume = {2}, pages = {116 - 126}, doi = {10.29002/asujse.451444}, title = {The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study}, key = {cite}, author = {Bicer, Ahmet and Surucu, Gokhan} }
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 . DOI: 10.29002/asujse.451444
MLA Bicer, A. , Surucu, G. "The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study" . Aksaray University Journal of Science and Engineering 2 (2018 ): 116-126 <http://asujse.aksaray.edu.tr/tr/pub/issue/37263/451444>
Chicago Bicer, A. , Surucu, G. "The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study". Aksaray University Journal of Science and Engineering 2 (2018 ): 116-126
RIS TY - JOUR T1 - The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study AU - Ahmet Bicer , Gokhan Surucu Y1 - 2018 PY - 2018 N1 - doi: 10.29002/asujse.451444 DO - 10.29002/asujse.451444 T2 - Aksaray University Journal of Science and Engineering JF - Journal JO - JOR SP - 116 EP - 126 VL - 2 IS - 2 SN - -2587-1277 M3 - doi: 10.29002/asujse.451444 UR - https://doi.org/10.29002/asujse.451444 Y2 - 2018 ER -
EndNote %0 Aksaray University Journal of Science and Engineering The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study %A Ahmet Bicer , Gokhan Surucu %T The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study %D 2018 %J Aksaray University Journal of Science and Engineering %P -2587-1277 %V 2 %N 2 %R doi: 10.29002/asujse.451444 %U 10.29002/asujse.451444
ISNAD Bicer, Ahmet , Surucu, Gokhan . "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 (Aralık 2018): 116-126 . https://doi.org/10.29002/asujse.451444
AMA Bicer A. , Surucu G. The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study. Aksaray J. Sci. Eng.. 2018; 2(2): 116-126.
Vancouver Bicer A. , Surucu G. The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study. Aksaray University Journal of Science and Engineering. 2018; 2(2): 116-126.
IEEE A. Bicer ve G. Surucu , "The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study", Aksaray University Journal of Science and Engineering, c. 2, sayı. 2, ss. 116-126, Ara. 2018, doi:10.29002/asujse.451444

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