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Linear Versus Nonlinear Electro-Optic Effects in Materials.
Physical Review Letters ( IF 8.1 ) Pub Date : 2020-06-30 , DOI: 10.1103/physrevlett.125.017401
Zhijun Jiang 1, 2, 3 , Charles Paillard 2, 4 , Hongjun Xiang 1, 5 , L Bellaiche 2
Affiliation  

Two schemes are proposed to compute the nonlinear electro-optic (EO) tensor for the first time. In the first scheme, we compute the linear EO tensor of the structure under a finite electric field, while we compute the refractive index of the structure under a finite electric field in the second scheme. Such schemes are applied to Pb(Zr,Ti)O3 and BaTiO3 ferroelectric oxides. It is found to reproduce a recently observed feature, namely, why Pb(Zr0.52Ti0.48)O3 adopts a mostly linear EO response while BaTiO3 exhibits a strongly nonlinear conversion between electric and optical properties. Furthermore, the atomistic insight provided by the proposed ab initio scheme reveals the origin of such qualitatively different responses, in terms of the field-induced behavior of the frequencies of some phonon modes and of some force constants.

中文翻译:

材料中的线性与非线性电光效应。

提出了两种方案来首次计算非线性电光(EO)张量。在第一种方案中,我们计算结构在有限电场下的线性EO张量,而在第二种方案中,我们计算结构在有限电场下的折射率。此类方案适用于铅含量Ø3钛酸钡3铁电氧化物。发现可以重现最近观察到的特征,即为什么铅含量0.520.48Ø3 采用线性EO响应,而 钛酸钡3在电和光学特性之间表现出强烈的非线性转换。此外,由所提出的从头计算方案提供的原子洞察力,根据某些声子模态频率和某些力常数的场致行为,揭示了这种定性不同的响应的起源。
更新日期:2020-06-30
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