Fig. 1.
(Color online) Structure of orthorhombic BiMnO$_{3}$; oxygen atoms at the orbit surface of the MnO$_{6}$ octahedra are labeled as O1 (O2), while the one at the top of the MnO$_{6}$ octahedra is labeled as O3.
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Yang Pei, Haibin Wu. Effect of uniaxial strain on the structural, electronic and elastic properties of orthorhombic BiMnO3[J]. Journal of Semiconductors, 2015, 36(3): 032002. doi: 10.1088/1674-4926/36/3/032002
Y Pei, H B Wu. Effect of uniaxial strain on the structural, electronic and elastic properties of orthorhombic BiMnO3[J]. J. Semicond., 2015, 36(3): 032002. doi: 10.1088/1674-4926/36/3/032002.
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Effect of uniaxial strain on the structural, electronic and elastic properties of orthorhombic BiMnO3
doi: 10.1088/1674-4926/36/3/032002
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Abstract
We study the elastic constants and electronic properties of orthorhombic BiMnO3 under uniaxial strain along the c-axis using the first-principles method. It is found that, beyond the range —0.025 < ε <0.055, the predicted stiffness constants cij cannot demand the Born stability criteria and the compliance constant s44 shows abrupt changes, which accompany phase transition. In addition, the results for magnetism moments and polycrystalline properties are also reported. Additionally, under compressive strain, a band gap transition from the indirect to the direct occurs within -0.019 < ε < -0.018. Furthermore, the response of the band gap of orthorhombic BiMnO3 to uniaxial strain is studied. -
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