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See detailTime-Dependent Screening Explains the Ultrafast Excitonic Signal Rise in 2D Semiconductors
Smejkal, Valerie; Libisch, Florian; Molina-Sanchez, Alejandro et al

in ACS Nano (2021), 15(1), 1179--1185

We calculate the time evolution of the transient reflection signal in an MoS2 monolayer on a SiO2/Si substrate using first-principles out-of-equilibrium real-time methods. Our simulations provide a simple ... [more ▼]

We calculate the time evolution of the transient reflection signal in an MoS2 monolayer on a SiO2/Si substrate using first-principles out-of-equilibrium real-time methods. Our simulations provide a simple and intuitive physical picture for the delayed, yet ultrafast, evolution of the signal whose rise time depends on the excess energy of the pump laser: at laser energies above the A- and B-exciton, the pump pulse excites electrons and holes far away from the K valleys in the first Brillouin zone. Electron–phonon and hole–phonon scattering lead to a gradual relaxation of the carriers toward small Active Excitonic Regions around K, enhancing the dielectric screening. The accompanying time-dependent band gap renormalization dominates over Pauli blocking and the excitonic binding energy renormalization. This explains the delayed buildup of the transient reflection signal of the probe pulse, in excellent agreement with recent experimental data. Our results show that the observed delay is not a unique signature of an exciton formation process but rather caused by coordinated carrier dynamics and its influence on the screening. [less ▲]

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See detailOrigin of the Flat Band in Heavily Cs-Doped Graphene
Ehlen, N; Hell, M; Marini, G et al

in ACS Nano (2020), 14(1), 1055

A flat energy dispersion of electrons at the Fermi level of a material leads to instabilities in the electronic system and can drive phase transitions. Here we show that the flat band in graphene can be ... [more ▼]

A flat energy dispersion of electrons at the Fermi level of a material leads to instabilities in the electronic system and can drive phase transitions. Here we show that the flat band in graphene can be achieved by sandwiching a graphene monolayer by two cesium (Cs) layers. We investigate the flat band by a combination of angle-resolved photoemission spectroscopy experiment and the calculations. Our work highlights that charge transfer, zone folding of graphene bands, and the covalent bonding between C and Cs atoms are the origin of the flat energy band formation. Analysis of the Stoner criterion for the flat band suggests the presence of a ferromagnetic instability. The presented approach is an alternative route for obtaining flat band materials to twisting bilayer graphene which yields thermodynamically stable flat band materials in large areas. [less ▲]

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See detailManifestation of charged and strained graphene layers in the Raman response of graphite intercalation compounds.
Chacon-Torres, Julio C.; Wirtz, Ludger UL; Pichler, Thomas

in ACS Nano (2013), 7(10), 9249

We present detailed multifrequency resonant Raman measurements of potassium graphite intercalation compounds (GICs). From a well-controlled and consecutive in situ intercalation and high-temperature ... [more ▼]

We present detailed multifrequency resonant Raman measurements of potassium graphite intercalation compounds (GICs). From a well-controlled and consecutive in situ intercalation and high-temperature deintercalation approach the response of each stage up to stage VI is identified. The positions of the G and 2D lines as a function of staging depend on the charge transfer from K to the graphite layers and on the lattice expansion. Ab initio calculations of the density and the electronic band structure demonstrate that most (but not all) of the transferred charge remains on the graphene sheets adjacent to the intercalant layers. This leads to an electronic decoupling of these "outer" layers from the ones sandwiched between carbon layers and consequently to a decoupling of the corresponding Raman spectra. Thus, higher stage GICs offer the possibility to measure the vibrations of single, double, and multilayer graphene under conditions of biaxial strain. This strain can additionally be correlated to the in-plane lattice constants of GICs determined by X-ray diffraction. The outcome of this study demonstrates that Raman spectroscopy is a very powerful tool to identify local internal strain in pristine and weakly charged single and few-layer graphene and their composites, yielding even absolute lattice constants. [less ▲]

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See detailInvestigation on Localized States in GaN Nanowires
Polenta, L. UL; Rossi, M.; Cavallini, Anna et al

in ACS Nano (2008), 2

GaN nanowires with diameters ranging between 50 and 500 nm were investigated by electrical and photoinduced current techniques to determine the influence of their size on the opto-electronic behavior of ... [more ▼]

GaN nanowires with diameters ranging between 50 and 500 nm were investigated by electrical and photoinduced current techniques to determine the influence of their size on the opto-electronic behavior of nanodevices. The conductivity, photoconductivity, and persistent photoconductivity behavior of GaN nanowires are observed to strongly depend on the wire diameter. In particular, by spectral photoconductivity measurements, three main sub-band-gap optoelectronic transitions were detected, ascribed to the localized states giving rise to the characteristic blue, green, and yellow bands of GaN. Photoconductivity with below-band-gap excitation varies orders of magnitude with the wire diameter, similarly to that observed for near-band-edge excitation. Moreover, yellow-band-related signal shows a superlinear behavior with respect to the band-edge signal, offering new information for the modeling of the carrier recombination mechanism along the nanowires. The photoconductivity results agree well with a model which takes into account a uniform distribution of the localized states inside the wire and their direct recombination with the electrons in the conduction band. [less ▲]

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