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您的检索式：作者名="George Volonakis"
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| 1 | Electronic and structural properties of TiB2 : Bulk, surface, and nanoscale effects显示文摘 | George Volonakis | 2011 | Mater Sci Eng B2011，176，： | 1 |
| 2 | Author Correction: Anharmonic electron-phonon coupling in ultrasoft and locally disordered perovskites显示文摘Correction to:npj Computational Materials https://doi.org/10.1038/s41524-023-01089-2,published online 24 August 2023 In this article the sentence“Average B-X-B bond angle plotted as a function of the p”was inadvertently inserted in the sentence“Here,we propose a picture of strongly coupled optical vibrations iAverage B-X-B bond angle plotted as a function of the pnstead of weakly-interacting phonon quasi-particles,since momentum information on phonons is smeared out.”.The original article has been corrected. | Marios Zacharias George Volonakis Feliciano Giustino Jacky Even | 2023 | npj Computational Materials2023，，1： | 0 |
| 3 | Anharmonic electron-phonon coupling in ultrasoft and locally disordered perovskites显示文摘Anharmonicity and local disorder(polymorphism)are ubiquitous in perovskite physics,inducing various phenomena observed in scattering and spectroscopy experiments.Several of these phenomena still lack interpretation from first principles since,hitherto,no approach is available to account for anharmonicity and disorder in electron–phonon couplings.Here,relying on the special displacement method,we develop a unified treatment of both and demonstrate that electron–phonon coupling is strongly influenced when we employ polymorphous perovskite networks.We uncover that polymorphism in halide perovskites leads to vibrational dynamics far from the ideal noninteracting phonon picture and drives the gradual change in their band gap around phase transition temperatures.We also clarify that combined band gap corrections arising from disorder,spin-orbit coupling,exchange–correlation functionals of high accuracy,and electron–phonon coupling are all essential.Our findings agree with experiments,suggesting that polymorphism is the key to address pending questions on perovskites’technological applications. | Marios Zacharias George Volonakis Feliciano Giustino Jacky Even | 2023 | npj Computational Materials2023，，1： | 0 |
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