In: The European Physical Journal D, 2015, vol. 69, no. 7, p. 1-28
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In: Journal of The American Society for Mass Spectrometry, 2015, vol. 26, no. 9, p. 1444-1454
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In: Inorganic Chemistry, 2010, vol. 49, no. 22, p. 10370-10377
The electronic description of octahedral (fac-[M(CO)(3)L(3)](n), with M = Re, Ru, and Mn, and [Cr(CO)(5)L](n)), square-planar (cis-[Pt(CO)(2)L(2)](n)), and tetrahedral ([Ni(CO)(3)L](n)) carbonyl complexes (where L = monodentate ligand) was obtained via density functional theory and natural population analyses in order to understand what effects are probed in these species by vibrational...
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In: Proceedings of the National Academy of Sciences, 2020, vol. 117, no. 44, p. 27104–27110
We report the optical conductivity in high-quality crystals of the chiral topological semimetal CoSi, which hosts exotic quasiparticles known as multifold fermions. We find that the optical response is separated into several distinct regions as a function of frequency, each dominated by different types of quasiparticles. The low-frequency intraband response is captured by a narrow Drude peak...
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In: Nature Communications, 2020, vol. 11, no. 1, p. 4095
Charge excitations across an electronic band gap play an important role in opto- electronics and light harvesting. In contrast to conventional semiconductors, studies of above-band-gap photoexcitations in strongly correlated materials are still in their infancy. Here we reveal the ultrafast dynamics controlled by Hund’s physics in strongly correlated photoexcited NiO. By combining...
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In: The Journal of Physical Chemistry C, 2019, vol. 123, no. 48, p. 29192–29202
Molecular dynamics simulations have been performed to investigate the mechanism of thermal energy transport at the interface between n-heneicosane in solid and liquid phases and few-layer graphene at different temperatures under two heating modes (in the “heat-matrix” mode, heat is flowing from the heated heneicosane molecules to the cooled ones through the graphene layers and in the...
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In: Physical Review A, 2019, vol. 100, no. 4, p. 043818
Transport of coherent waves in multiple-scattering media may exhibit fundamental, nonintuitive phenomena such as halt of diffusion by disorder called Anderson localization. For electromagnetic waves, this phenomenon was observed only in one and two dimensions so far. However, none of these experiments studied the contribution of reciprocal paths nor their manipulation by external fields. In...
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In: The Journal of Chemical Physics, 2019, vol. 151, no. 6, p. 064119
We present calculated and measured elastic and vibrational excitation cross sections in benzene with the objective to assess the reliability of the theoretical method and to shed more light on how the electronic motion of the incoming electron is coupled with the nuclear motion of the vibrations. The calculation employed the discrete momentum representation method which involves solving the...
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In: Advanced Optical Materials, 2019, p. 1900442
The color of materials usually originates from a combination of wavelength‐dependent absorption and scattering. Controlling the color without the use of absorbing dyes is of practical interest, not only because of undesired bleaching properties of dyes but also regarding minimization of environmental and health issues. Color control without dyes can be achieved by tuning the material's...
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In: The European Physical Journal A, 2014, vol. 50, no. 3, p. 1-18
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