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8 papers · 2 filters
Levy Flight of Photoexcited Minority Carriers in Moderately Doped Semiconductors: Theory and Observation
Arsen Subashiev, Serge Luryi
Spatial spread of minority carriers produced by optical excitation in semiconductors is usually well described by a diffusion equation. The classical diffusion process can be viewe…
First-Principles Determination of the Structure of Magnesium Borohydride
Xiang-Feng Zhou, Artem R. Oganov, Guang-Rui Qian +1
The energy landscape of Mg(BH4)2 under pressure is explored by ab initio evolutionary calculations. Two new tetragonal structures, with space groups P-4 and I41/acd are predicted t…
Stability of xenon oxides at high pressures
Qiang Zhu, Daniel Y. Jung, Artem R. Oganov +3
Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of formation of stable xenon oxides and silicates in the interior of the E…
Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications
Qiang Zhu, Artem R. Oganov, Colin W. Glass +1
Evolutionary crystal structure prediction proved to be a powerful approach for studying a wide range of materials. Here, we present a specifically designed algorithm for the predic…
Evolutionary Metadynamics: a Novel Method to Predict Crystal Structures
Qiang Zhu, Artem R. Oganov, Andriy O. Lyakhov
A novel method for crystal structure prediction, based on metadynamics and evolutionary algorithms, is presented here. This technique can be used to produce efficiently both the gr…
Freezing of the local dynamics in the relaxor ferroelectric PZN-4.5PT
Zhijun Xu, Jinsheng Wen, E. Mamontov +3
We report measurements of the neutron diffuse scattering in a single crystal of the relaxor ferroelectric material 95.5%Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 (PZN-4.5%PT). We show that the d…