Kleinman symmetry deviations for hydrogen

Shelton, David P.; Lu, Zheng

doi:10.1103/physreva.37.2231

Cited by 17 publications

(12 citation statements)

References 10 publications

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“…Therefore we have s 3232 = s 3223 and we now have only 2 independent components. There are however reports that such a treatment for EFISH cannot always be performed [22][23][24].…”

Section: B Efishmentioning

confidence: 99%

Model of third harmonic generation and electric field induced optical second harmonic using simplified bond-hyperpolarizability model

2015

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We report for the first time a comprehensive study of the fourth rank tensor describing third harmonic generation (THG) and electric field induced second harmonic (EFISH) in centrosymmetric material from two different viewpoints: Group Theory (GT) and the Simplified Bond Hyperpolarizability Model (SBHM).We show that the fourth rank tensor related to THG and direct current (DC) EFISH can be reduced to two independent elements whereas SBHM always gives only one, reproducing perfectly well EFISH experimental results in Metal Oxyde Semiconductor (MOS). We argue that it is possible to reduce the fourth rank tensor describing EFISH to a third rank tensor and further deliver a classical explanation of EFISH regarding symmetry breaking where the term containing r 3 in the potential immediately leads to second harmonic generation (SHG). 1 arXiv:1505.06696v1 [cond-mat.mtrl-sci]

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“…Therefore we have s 3232 = s 3223 and we now have only 2 independent components. There are however reports that such a treatment for EFISH cannot always be performed [22][23][24].…”

Section: B Efishmentioning

confidence: 99%

Model of third harmonic generation and electric field induced optical second harmonic using simplified bond-hyperpolarizability model

2015

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“…Remark .2. Recently, deviations from Kleinman symmetry in the low-frequency off-resonant regions have been observed in many nonlinear optical experiments [22][23][24][25][26][27][28][29][30][31]. Upon a careful examination of these experiments, we observed that: (i).…”

mentioning

confidence: 73%

“…The deviation of the Kleinman symmetry increases with decreasing band gap and is proportional to ω 2 for crystals [22]; (ii). the deviation of the Kleinman symmetry in delocalized states such as aromatic molecules [28,29] and some polymers [25][26][27] or crystals [22][23][24] is usually much larger than that in localized states such as molecular systems such as O 2 , N 2 , etc [30,31] (20∼50% versus ≤8%). Eq.…”

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confidence: 99%

Breaking of the overall permutation symmetry in nonlinear optical susceptibilities of one-dimensional periodic dimerized Hückel model

Jiang

2006

J. Phys.: Condens. Matter

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Based on one-dimensional single-electron infinite periodic models of trans-polyacetylene, we show analytically that the overall permutation symmetry of nonlinear optical susceptibilities is, although preserved in bound-state molecular systems, no longer generally held in periodic systems. The overall permutation symmetry breakdown provides a natural explanation of the widely observed large deviations of Kleinman symmetry in off-resonant regions of periodic systems. Finally, physical conditions to experimentally test the overall permutation symmetry breakdown are discussed.

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“…This assumption is quite standard and holds for nonresonance frequencies in the classical anharmonic oscillator model and in quantum optics [7,8]. However, we note that Kleinman symmetry can be broken in a variety of systems [9][10][11][12][13][14].…”

Section: Preliminariesmentioning

confidence: 99%