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To reveal the underlying mechanisms for the abnormal piezoelectricity, we study the effects of uniaxial tensile stress on the Born effective charges and atomic displacements, respectively (see Fig. 5a, 5b).
To reveal the underlying mechanisms, we study the effects of uniaxial tensile stress on the atomic displacements and Born effective charges, respectively.
At acidic condition (pH < 4), one can notice an obviously reduced swelling; it was aroused by the screening effect of the counter ions (e.g., Cl−) which reduce the effective charges of –NH2+ and therefore decrease the efficient repulsion between the two cations (–NH2+) [ 36].
Possible applications in lattice analyses, heavy quark physics and effective charges are briefly discussed.
Using the effective charges, the quadrupole moments for each MCSM basis vector can be obtained.
However, MnTiO3 showed a larger spontaneous polarization than MnSnO3 due to high Born effective charges of titanium.
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This strongly suggests that the effective charge carriers are mainly located on the STO side.
First principles calculations of dielectric and effective charge tensors in barium titanate.
The bonding behavior was also investigated in detail from the charge densities and effective charge populations.
The research is expected to help design more effective charged materials for facilitating protein refolding.
However, improving effective charge collection and transportation of the electrodes is still a great challenge.
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