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We demonstrate anisotropic photostriction in two-dimensional orthorhombic semiconductors using time-dependent density functional theory. By tracing the dynamics of photoexcited carriers, we establish a quantitative link between carrier…

Materials Science · Physics 2025-12-30 Jianxin Yu , Kun Yang , Jiawen Li , Sheng Meng , Xinghua Shi , Jin Zhang

In a recent paper, Street et al. [Phys. Rev. B 81, 205307 (2010)] propose first order recombination due to interface states to be the dominant loss mechanism in organic bulk heterojunction solar cells, based on steady-state current--voltage…

Materials Science · Physics 2010-11-15 C. Deibel , A. Wagenpfahl

We consider free electrons in rectangular quantum dots, with either hard wall boundary conditions or anharmonic confinement. In both cases, due to finite size effects, a homogeneous electric field applied along one of the rectangular axis…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Stephane Pleutin

We develop a theoretical model for how organic molecules can control the electronic and transport properties of an underlying transistor channel to whose surface they are chemically bonded. The influence arises from a combination of…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Smitha Vasudevan , Neeti Kapur , Tao He , Matthew Neurock , James M. Tour , Avik W. Ghosh

By observing reconstituted chromatin by fluorescence microscopy (FM) and atomic force microscopy (AFM), we found that the density of nucleosomes exhibits a bimodal profile, i.e., there is a large transition between the dense and dispersed…

Subcellular Processes · Quantitative Biology 2015-06-26 Tonau Nakai , Kohji Hizume , Shige. H. Yoshimura , Kunio Takeyasu , Kenichi Yoshikawa

Optical half-wave microresonators enable to control the optical mode density around a quantum system and thus to modify the temporal emission properties. If the coupling rate exceeds the damping rate, strong coupling between a…

Realistic models of amorphous ZrO2 are generated in a ``melt-and-quench'' fashion using ab-initio molecular dynamics in a plane-wave pseudopotential formulation of density-functional theory. The structural properties of the resulting…

Materials Science · Physics 2013-05-29 Xinyuan Zhao , Davide Ceresoli , David Vanderbilt

Electronic charge order is a symmetry breaking state in high-$T_\mathrm{c}$ cuprate superconductors. In scanning tunneling microscopy, the detected charge-order-induced modulation is an electronic response of the charge order. For an…

Superconductivity · Physics 2019-10-18 Ying Fei , Yuan Zheng , Kunliang Bu , Wenhao Zhang , Ying Ding , Xingjiang Zhou , Yi Yin

Configuring TiO2 into bicontinuous mesostructures greatly improves its photocatalytic efficiency. This is often ascribed to the expanded surface area. Yet, whether mesostructuring modulates TiO2's electronic structure and how that…

Materials Science · Physics 2023-10-23 Ying-Hao Lu , Bor Kae Chang , Yi-Fan Chen

Defect-assisted recombination is an important limitation on efficiency of optoelectronic devices. However, since nonradiative capture rates decrease exponentially with energy of the transition, the mechanisms by which such recombination can…

Materials Science · Physics 2016-06-08 Audrius Alkauskas , Cyrus E. Dreyer , John L. Lyons , Chris G. Van de Walle

Rapid progress in organic electronics demands new highly efficient organic semiconducting materials. Nevertheless, only few materials have been created so far that show reliable band-like transport with high charge mobilities, which…

We explore the elastic behavior of a wormlike chain under compression in terms of exact solutions for the associated probability densities. Strikingly, the probability density for the end-to-end distance projected along the applied force…

Soft Condensed Matter · Physics 2019-11-11 Christina Kurzthaler , Thomas Franosch

Using molecular dynamics simulations with recently developed importance sampling methods, we show that the differential capacitance of a model ionic liquid based double-layer capacitor exhibits an anomalous dependence on the applied…

The theory of the 2k_F and 4k_F instabilities in quarter-filled band organic conductors is revisited. The phase angles of the 2k_F bond and charge density waves are shown to change as electron correlation is turned on, and this switching of…

Condensed Matter · Physics 2009-10-22 K. C. Ung , S. Mazumdar , D. Toussaint

Using density functional molecular dynamics simulations we study the electronic properties of glassy g-GeS$_2$. We compute the electronic density of states, which compares very well with XPS measurements, as well as the partial EDOS and the…

Disordered Systems and Neural Networks · Physics 2009-11-10 Sebastien Blaineau , Philippe Jund

We investigate the energy relaxation segmentation in a resonant tunneling heterostructures by assessing the optical and transport dynamics of non-equilibrium charge carriers. The electrical and optical properties are analyzed using…

In this paper, we develop the notion of the linear atomic quantum coupler. This device consists of two modes propagating into two waveguides, each of them includes a localized and/or a trapped atom. These waveguides are placed close enough…

Quantum Physics · Physics 2015-05-14 Faisal A. A. El-Orany , Wahiddin M. R. B

The charge transport in some organic semiconductors demonstrates nonlinear properties and further universal power-law scaling with both bias and temperature. The physical origin of this behavior is investigated here using variable range…

Mesoscale and Nanoscale Physics · Physics 2014-12-16 Ling Li , Nianduan Lu , Ming Liu

In strongly correlated electron systems, superconductivity and charge density waves often coexist in close proximity, suggesting a deeper relationship between these competing phases. Recent research indicates that these orders can…

Superconductivity · Physics 2026-01-08 Feng-Feng Song , Aditya Chugh , Hanggai Nuomin , Naoki Kawashima , Alexander Wietek

Open fermion systems with energy-independent bilinear coupling to a fermionic environment have been shown to obey a general duality relation [Phys. Rev. B 93, 81411 (2016)] which allows for a drastic simplification of time-evolution…

Mesoscale and Nanoscale Physics · Physics 2018-12-12 J. Schulenborg , J. Splettstoesser , M. R. Wegewijs
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