Papers published on a yearly basis
Papers
More filters
TL;DR: The maximum entropy production principle (MEPP) as discussed by the authors was proposed to maximize the entropy production during nonequilibrium processes, and it has been applied in a wide range of applications.
781 citations
TL;DR: Results are reported for the classic correlated insulator MnO that reproduce a simultaneous moment collapse, volume collapse and metallization transition near the observed pressure, and identify the mechanism as collapse of the magnetic moment due to an increase of crystal-field splitting, rather than to variation in the bandwidth.
Abstract: The precise mechanism of the insulator-to-metal transition in MnO has been unravelled by a computational approach that shows that the transition is a result of the simultaneous collapse of the magnetic moment.
159 citations
TL;DR: In this article, a review of thermoluminescence (TL) dosimetric materials is presented, where it is shown that the properties of commercial TL dosimeters satisfy a set of stringent requirements.
158 citations
TL;DR: Each step of the synthetic route allows diversification, which makes the approach particularly useful for the facile synthesis of a large variety of functionalized bi- and terpyridines.
Abstract: A general synthetic route for the synthesis of functionalized bi- and terpyridines is reported. Functionalized 1,2,4-triazene 4-oxides 7 and 8-obtained from the reaction of hydrazones 1 with pyridine aldehydes and followed by oxidation-are functionalized by introduction of a cyano group via nucleophilic aromatic substitution. The thus-obtained 5-cyano-1,2,4-triazines 9 and 10 undergo facile inverse-electron-demand Diels-Alder reactions with enamines and alkenes to yield functionalized bi- and terpyridines, respectively. The substituent at position 6 of the 1,2,4-triazene 4-oxides must be aromatic or heteroaromatic in order to allow their facile synthesis, but other substituents and reagents may vary. Each step of the synthetic route allows diversification, which makes the approach particularly useful for the facile synthesis of a large variety of functionalized bi- and terpyridines.
141 citations
TL;DR: The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver, and the low-energy Zhang-Rice bands with strongly k-dependent orbital character are obtained.
Abstract: The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a Hamiltonian which includes both Ni d and O p orbitals we find excellent agreement with the energy bands determined from angle-resolved photoemission spectroscopy. This brings an important progress in a long-standing problem of solid-state theory. Most notably we obtain the low-energy Zhang-Rice bands with strongly k-dependent orbital character discussed previously in the context of low-energy model theories.
124 citations
Authors
Showing all 1461 results
| Name | H-index | Papers | Citations |
|---|---|---|---|
| Burkhard König | 73 | 562 | 22098 |
| V. I. Anisimov | 60 | 356 | 25119 |
| Duncan W. Bruce | 50 | 340 | 10363 |
| Hartmut Yersin | 50 | 294 | 11261 |
| Alexander L. Ivanovskii | 41 | 445 | 7258 |
| Sergey V. Streltsov | 34 | 176 | 3628 |
| Manfred Zabel | 34 | 259 | 3956 |
| Oleg N. Chupakhin | 34 | 713 | 5847 |
| V. Ya. Shur | 34 | 360 | 4572 |
| Vladimir V. Popik | 34 | 121 | 4885 |
| Marco Kirm | 33 | 274 | 4132 |
| I. R. Shein | 32 | 281 | 4316 |
| Valery N. Charushin | 31 | 331 | 3995 |
| Walter M. F. Fabian | 30 | 204 | 3454 |
| Andrey A. Rempel | 28 | 183 | 2600 |