Theoretical investigation of mechanical, optoelectronic and thermoelectric properties of BiGaO3 and BiInO3 compounds
作者： Rasul Bakhsh Behram , MA Iqbal , SM Alay-e-Abbas , M Sajjad , M Yaseen
DOI: 10.1016/J.MSSP.2015.09.010
关键词:
摘要: … Both of the perovskites have indirect energy band gaps (2.46 eV for BiGaO 3 and 1.05 eV … to the Fermi level imply that the In–O and Ga–O bonds have a covalent bonding character. As …
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researchgate.net 参考文章(47)
R. E. Eitel, S. J. Zhang, T. R. Shrout, C. A. Randall, I. Levin, Phase Diagram of the Perovskite System (1−x)BiScO3-xPbTiO3 Journal of Applied Physics. ,vol. 96, pp. 2828- 2831 ,(2004) , 10.1063/1.1777810
Jorge Íñiguez, David Vanderbilt, L. Bellaiche, First-principles study of ( BiScO 3 ) 1 − x − ( PbTiO 3 ) x piezoelectric alloys Physical Review B. ,vol. 67, pp. 224107- ,(2003) , 10.1103/PHYSREVB.67.224107
A. Kourdassi, N. Benkhettou, M. Labair, M. Benkabou, S. Benalia, R. Khenata, H. Baltache, Djamel Rached, FP-LMTO calculations of the structural, elastic, thermodynamic, and electronic properties of the ideal-cubic perovskite BiGaO3 Brazilian Journal of Physics. ,vol. 44, pp. 914- 921 ,(2014) , 10.1007/S13538-014-0262-2
J. Kaczkowski, A. Jezierski, Electronic Structure of the Cubic Perovskites BiMO_3 (M = Al, Ga, In, Sc) Acta Physica Polonica A. ,vol. 124, pp. 852- 854 ,(2013) , 10.12693/APHYSPOLA.124.852
Masaki Azuma, Kazuhide Takata, Takashi Saito, Shintaro Ishiwata, Yuichi Shimakawa, Mikio Takano, Designed ferromagnetic, ferroelectric Bi2NiMnO6 Journal of the American Chemical Society. ,vol. 127, pp. 8889- 8892 ,(2005) , 10.1021/JA0512576
Sidney Yip, Ju Li, Meijie Tang, Jinghan Wang, Mechanistic aspects and atomic-level consequences of elastic instabilities in homogeneous crystals Materials Science and Engineering A-structural Materials Properties Microstructure and Processing. ,vol. 317, pp. 236- 240 ,(2001) , 10.1016/S0921-5093(01)01162-5
A. Bouhemadou, R. Khenata, M. Kharoubi, T. Seddik, Ali H. Reshak, Y. Al-Douri, FP-APW + lo calculations of the elastic properties in zinc-blende III-P compounds under pressure effects Computational Materials Science. ,vol. 45, pp. 474- 479 ,(2009) , 10.1016/J.COMMATSCI.2008.11.013
S. M. Alay-e-Abbas, A. Shaukat, FP-LAPW calculations of structural, electronic, and optical properties of alkali metal tellurides: M2Te [M: Li, Na, K and Rb] Journal of Materials Science. ,vol. 46, pp. 1027- 1037 ,(2011) , 10.1007/S10853-010-4868-7
Alexei A. Belik, Polar and nonpolar phases of BiMO3: A review Journal of Solid State Chemistry. ,vol. 195, pp. 32- 40 ,(2012) , 10.1016/J.JSSC.2012.01.025
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865