| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Drummond, Neil David
Lancaster University
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2017Nature of the metallization transition in solid hydrogencitations
- 2016Quasiparticle and excitonic gaps of one-dimensional carbon chainscitations
- 2015k · p theory for two-dimensional transition metal dichalcogenide semiconductorscitations
- 2014Electrons and phonons in single layers of hexagonal indium chalcogenides from ab initio calculationscitations
- 2014Electron-phonon coupling and the metallization of solid helium at terapascal pressurescitations
- 2014Spin-orbit coupling, quantum dots, and qubits in monolayer transition metal dichalcogenidescitations
- 2004Coulomb finite-size effects in quasi-two-dimensional systemscitations
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article
Nature of the metallization transition in solid hydrogen
Abstract
We present an accurate study of the static-nucleus electronic energy band gap of solid molecular hydrogen at high pressure. The excitonic and quasiparticle gaps of the C 2 / c , P c , P b c n , and P 6 3 / m structures at pressures of 250, 300, and 350 GPa are calculated using the fixed-node diffusion quantum Monte Carlo (DMC) method. The difference between the mean-field and many-body band gaps at the same density is found to be almost independent of system size and can therefore be applied as a scissor correction to the mean-field gap of an infinite system to obtain an estimate of the many-body gap in the thermodynamic limit. By comparing our static-nucleus DMC energy gaps with available experimental results, we demonstrate the important role played by nuclear quantum effects in the electronic structure of solid hydrogen.