Research Article
BibTex RIS Cite

Year 2018, Volume: 23 Issue: 3, 205 - 211, 11.12.2018

Sinem Erden Gülebağlan

Abstract

References

  • Akyuz, G. B., Tunali, A. Y., Gulebaglan, S. E., Yurdasan, N. B. 2016. First-principles calculations of structural and electronic properties of TlxGa1−xAs alloys., Chinese Physics B, Cilt.25, No.2.
  • Baroni, S., Corso, A. D., de Gironcoli, S. and Giannozzi, P. http://www.pwscf.org
  • Yi Cui, Yi Pan, Leandro Pascua, Hengshan Qui, Christian Stiehler, Helmut Kuhlenbeck, Niklas Nilius and Hans Joachim Freund, 2015. Evolution of the electronic structure of CaO thin films following Mo interdiffusion at high temperature, Physical Review B, 95, 035418 .
  • Dou, Y., Egdell, R. G., Law D. S. L. , Harrison, N. M., Searle, B. G. 1998. An experimental and theoretical investigation of the electronic structure of CdO, Journal Physics Condensend Matter, 10, 8447 -8458.
  • Fan, Q., Chai, C., Wei, Q., Yang, Y., Qiao, L., Zhao, Y., Zhou, P., Zhou, P., Xing, M., Zhang, J., Yao, R., 2015. Mechanical and electronic properties of CaxMg1-xO alloys. Materiai Science in Semiconductor Processing, 40, 676-684.
  • Hussain, A., Mehmood, S., Rasool, M. N., Aryal, S., Rulis, P., Ching, W. Y., 2016. Electronic structure, mechanic and optical properties of CaO.Al2O3 system: a first principles approach. Indian Journal of Physics., 90(8), 917-929.
  • Jeffe, J. E., Ravindra Pandey and Kunz, A. B. 1991. Electronic structure of the rock salt structure semiconductors ZnO and CdO. Physical Review B, Volume 43, Number 17.
  • Jemmy Cinthia A., Sudhapriyanga, G., Rajeswarapalanichamy, R., Santhosh, M. 2014. Structural, electronic and elastic properties of ZnO and CdO: A first principles Study, Procedia Material Science, 5, 1034-1042.
  • King, P. D. C., Veal, T. D., Scheife, A., Zuniga Perez J., Martel, B., Jefferson, P. H., Fuchs, F., Munoz-Sanjose, V., Bechstedt F. and McConville, C. F. 2009. Valance band electronic structure of CdO, ZnO and MgO from x-ray photoemission spectroscopy and quasi-particle corrected density functional theory calculations, Physical Review B, 79, 205205.
  • Kohn, W and Sham, L. J. 1965. Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, Cilt.140, s.1133.
  • Kukli, K., Ritala, M., Sajavaara, T., Hönninen, T. and Leskela, M. 2006. Atomic layer deposition of calcium oxide and calcium hafnium oxide films using calcium cyclopentadienyl precursor, Thin Solid Films, 500, 322.
  • Liu H. Z., Mao, H. K., Somayazulo, M., Ding, Y., Meng, Y., Hausermann, D. 2004. B1-to-B2 phase transition of transition-metal monoxide CdO under strong compression, Physical Review B, 094114.
  • Medeiros, S. K., Albuquerque, E. L., Maria, Jr, F. F., de Sousa, J. S., Caetano, E. W. S., and Freire, V. N., 2007. CaO first principles electronic properties and MOS device simulation. Journal Physical D Applied Physics, 40, 1655-1658.
  • Mikhail, S. Kuklin, Andrey, S., Bazhenov, Karoliina Honkala, Sergio Tosoi, Gianfranco Pacchioni an Hannu Hakinken. 2017. Structure and dynamic of CaO films: Acomputational study of an effect of external static electric field, Physical Review B, 95, 165423.
  • Miloua, R., Miloua, F., Kebbab, Z. and Benramdane, N. 2008. First-principles investigation the phase separation in Ca1-xMgxO alloys. МЕЖДУНАРОДНЫЙ НАУЧНЫЙ ЖУРНАЛ АЛЬТЕРНАТИВНАЯ ЭНЕРГЕТИКА И ЭКОЛОГИЯ , 6, 91-95.
  • Murnaghan, F. D. 1944. The Compressibility of Media under Extreme Pressures. Proc. Natl. Acad. Sci., USA , Cilt.3, s.244.
  • Perdew, J. P., Burke, K., Emzerhof. M. 1996. Generalized Gradient Approximation Made Simple. Physics Review Letter, Cilt.77, s.3865.
  • Richet, P., Mao, H. K. and Bell, P.M. 1988. Static compression and equation of state of CaO to 1.35 Mbar. Journal of Geophysical Research: Solid Earth, 93, 15279-15288.
  • Roberto, J., Guerrero-Morena, Noboru Takeuchi, 2002. First principles calculations on the ground state properties and structural phase transformation in CdO. Physical Review B, 2025205.
  • Salamatinia, B., Hashemivadeh, I., Ahamad, Z. A. 2013. Alkaline Earth Metal Oxide Catalysts for Biodiesel Production from Palm Oil: Elucidation of Process Behaviors and Modeling Using Response Surface Methodology. Iran Journal Chemical and Chemical Engineering, 32, 113-126.
  • Srivastava, A., Chauhan, M., Singh, R.K. and Padegaonker, R. 2011. High Pressure Phase Transitions in Mg1-xCaxO: Theory. Physica Status Solidi B, 248, 1901-1907.
  • Slack, G. A., Austerman, S. B. 1971. Thermal Conductivity of BeO Single Crystals. Journal Applied Physics, 42, 4713.
  • Sobolev, V., Merzlyakov, D. A., Val. Sobolev, V. 2016. Optical Properties and electronic structure of CaO. Journal of Applied Spectroscopy, Vol: 83, No:4.
  • Suresh, P., Balamurugan, S., Balamurugan, D. 2014. Electronic and optical studies of CaO with oxygen defects: A DFT approach. Der Pharma Chemica, 6(4), 292-297.
  • Y. Tatekawa, K. Naktani, H. Ishi. 1996. Small bowel obstruction caused by a medication bezoar: Report of a case. Surg. Today, 26, 68.
  • Tunali, A. Y., Gulebaglan, S. E., Yurdasan, N. B., Akyuz, G. B., 2015. Structural and electronic properties of GaTlP ternary Alloys, Material Science in Semiconductor Processing, Cilt. 33, 58-66.
  • Vegard, L., 1921. Die Konstitution der Mischkristalle und die Raumfüllung der Atome. Zeitschrift Fur Physik, Cilt.5, s.17-26.
  • Yao, G., An, X., Lei, H., Fu Y., and Wu, W., 2013. Electronic and optical properties of rock salt CdO: Afirst principles Density Functional Theory study. Modeling and Numerical Simulation of Material Science, 3, 16-19.
  • Zunger, A., Wie, S. H., Ferreira, L. G. and Bernard, J. E. 1990. Special quasirandom structures. Physical Review Letter, Cilt.65, s.353.

CdO İkili Bileşiğinin Elektronik Özelliklerine Kalsiyum Katkılamanın Etkisi

Year 2018, Volume: 23 Issue: 3, 205 - 211, 11.12.2018

Sinem Erden Gülebağlan

Abstract

Bu çalışmada üçlü alaşım olan CaxCd1-xO
elektronik özellikleri analiz edilmiştir. CaxCd1-xO üçlü
alaşımın elektronik özellikleri genelleştirilmiş gradient yaklaşımı
kullanılarak yoğunluk fonksiyoneli teorisi ile hesaplanmıştır. CaxCd1-xO
üçlü alaşımın katkılama miktarına bağlı olarak enerji band aralığı, eğilme
parametresi ve eğilme parametresinin üç bileşenin değerleri hesaplanmıştır. Hesaplama
sonuçları gösterdi ki katkılanan Kalsiyum miktarı eğilme parametresini önemli
ölçüde etkilemektedir.

Keywords

Üçlü alaşımlar Elektronik Özellikler Yoğunluk fonksiyoneli teorisi

References

  • Akyuz, G. B., Tunali, A. Y., Gulebaglan, S. E., Yurdasan, N. B. 2016. First-principles calculations of structural and electronic properties of TlxGa1−xAs alloys., Chinese Physics B, Cilt.25, No.2.
  • Baroni, S., Corso, A. D., de Gironcoli, S. and Giannozzi, P. http://www.pwscf.org
  • Yi Cui, Yi Pan, Leandro Pascua, Hengshan Qui, Christian Stiehler, Helmut Kuhlenbeck, Niklas Nilius and Hans Joachim Freund, 2015. Evolution of the electronic structure of CaO thin films following Mo interdiffusion at high temperature, Physical Review B, 95, 035418 .
  • Dou, Y., Egdell, R. G., Law D. S. L. , Harrison, N. M., Searle, B. G. 1998. An experimental and theoretical investigation of the electronic structure of CdO, Journal Physics Condensend Matter, 10, 8447 -8458.
  • Fan, Q., Chai, C., Wei, Q., Yang, Y., Qiao, L., Zhao, Y., Zhou, P., Zhou, P., Xing, M., Zhang, J., Yao, R., 2015. Mechanical and electronic properties of CaxMg1-xO alloys. Materiai Science in Semiconductor Processing, 40, 676-684.
  • Hussain, A., Mehmood, S., Rasool, M. N., Aryal, S., Rulis, P., Ching, W. Y., 2016. Electronic structure, mechanic and optical properties of CaO.Al2O3 system: a first principles approach. Indian Journal of Physics., 90(8), 917-929.
  • Jeffe, J. E., Ravindra Pandey and Kunz, A. B. 1991. Electronic structure of the rock salt structure semiconductors ZnO and CdO. Physical Review B, Volume 43, Number 17.
  • Jemmy Cinthia A., Sudhapriyanga, G., Rajeswarapalanichamy, R., Santhosh, M. 2014. Structural, electronic and elastic properties of ZnO and CdO: A first principles Study, Procedia Material Science, 5, 1034-1042.
  • King, P. D. C., Veal, T. D., Scheife, A., Zuniga Perez J., Martel, B., Jefferson, P. H., Fuchs, F., Munoz-Sanjose, V., Bechstedt F. and McConville, C. F. 2009. Valance band electronic structure of CdO, ZnO and MgO from x-ray photoemission spectroscopy and quasi-particle corrected density functional theory calculations, Physical Review B, 79, 205205.
  • Kohn, W and Sham, L. J. 1965. Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, Cilt.140, s.1133.
  • Kukli, K., Ritala, M., Sajavaara, T., Hönninen, T. and Leskela, M. 2006. Atomic layer deposition of calcium oxide and calcium hafnium oxide films using calcium cyclopentadienyl precursor, Thin Solid Films, 500, 322.
  • Liu H. Z., Mao, H. K., Somayazulo, M., Ding, Y., Meng, Y., Hausermann, D. 2004. B1-to-B2 phase transition of transition-metal monoxide CdO under strong compression, Physical Review B, 094114.
  • Medeiros, S. K., Albuquerque, E. L., Maria, Jr, F. F., de Sousa, J. S., Caetano, E. W. S., and Freire, V. N., 2007. CaO first principles electronic properties and MOS device simulation. Journal Physical D Applied Physics, 40, 1655-1658.
  • Mikhail, S. Kuklin, Andrey, S., Bazhenov, Karoliina Honkala, Sergio Tosoi, Gianfranco Pacchioni an Hannu Hakinken. 2017. Structure and dynamic of CaO films: Acomputational study of an effect of external static electric field, Physical Review B, 95, 165423.
  • Miloua, R., Miloua, F., Kebbab, Z. and Benramdane, N. 2008. First-principles investigation the phase separation in Ca1-xMgxO alloys. МЕЖДУНАРОДНЫЙ НАУЧНЫЙ ЖУРНАЛ АЛЬТЕРНАТИВНАЯ ЭНЕРГЕТИКА И ЭКОЛОГИЯ , 6, 91-95.
  • Murnaghan, F. D. 1944. The Compressibility of Media under Extreme Pressures. Proc. Natl. Acad. Sci., USA , Cilt.3, s.244.
  • Perdew, J. P., Burke, K., Emzerhof. M. 1996. Generalized Gradient Approximation Made Simple. Physics Review Letter, Cilt.77, s.3865.
  • Richet, P., Mao, H. K. and Bell, P.M. 1988. Static compression and equation of state of CaO to 1.35 Mbar. Journal of Geophysical Research: Solid Earth, 93, 15279-15288.
  • Roberto, J., Guerrero-Morena, Noboru Takeuchi, 2002. First principles calculations on the ground state properties and structural phase transformation in CdO. Physical Review B, 2025205.
  • Salamatinia, B., Hashemivadeh, I., Ahamad, Z. A. 2013. Alkaline Earth Metal Oxide Catalysts for Biodiesel Production from Palm Oil: Elucidation of Process Behaviors and Modeling Using Response Surface Methodology. Iran Journal Chemical and Chemical Engineering, 32, 113-126.
  • Srivastava, A., Chauhan, M., Singh, R.K. and Padegaonker, R. 2011. High Pressure Phase Transitions in Mg1-xCaxO: Theory. Physica Status Solidi B, 248, 1901-1907.
  • Slack, G. A., Austerman, S. B. 1971. Thermal Conductivity of BeO Single Crystals. Journal Applied Physics, 42, 4713.
  • Sobolev, V., Merzlyakov, D. A., Val. Sobolev, V. 2016. Optical Properties and electronic structure of CaO. Journal of Applied Spectroscopy, Vol: 83, No:4.
  • Suresh, P., Balamurugan, S., Balamurugan, D. 2014. Electronic and optical studies of CaO with oxygen defects: A DFT approach. Der Pharma Chemica, 6(4), 292-297.
  • Y. Tatekawa, K. Naktani, H. Ishi. 1996. Small bowel obstruction caused by a medication bezoar: Report of a case. Surg. Today, 26, 68.
  • Tunali, A. Y., Gulebaglan, S. E., Yurdasan, N. B., Akyuz, G. B., 2015. Structural and electronic properties of GaTlP ternary Alloys, Material Science in Semiconductor Processing, Cilt. 33, 58-66.
  • Vegard, L., 1921. Die Konstitution der Mischkristalle und die Raumfüllung der Atome. Zeitschrift Fur Physik, Cilt.5, s.17-26.
  • Yao, G., An, X., Lei, H., Fu Y., and Wu, W., 2013. Electronic and optical properties of rock salt CdO: Afirst principles Density Functional Theory study. Modeling and Numerical Simulation of Material Science, 3, 16-19.
  • Zunger, A., Wie, S. H., Ferreira, L. G. and Bernard, J. E. 1990. Special quasirandom structures. Physical Review Letter, Cilt.65, s.353.
There are 29 citations in total.

Details

Primary Language Turkish
Journal Section Articles
Authors

Sinem Erden Gülebağlan

Publication Date December 11, 2018
Submission Date March 13, 2018
Published in Issue Year 2018 Volume: 23 Issue: 3

Cite

APA Erden Gülebağlan, S. (2018). CdO İkili Bileşiğinin Elektronik Özelliklerine Kalsiyum Katkılamanın Etkisi. Yüzüncü Yıl Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 23(3), 205-211.