arXiv subjects

Wenyuan Liu

Publications and source records attributed to Wenyuan Liu.

23 records · Page 2Linked to original sources

arXiv2017

Dopant-Dopant Interactions in Beryllium doped Indium Gallium Arsenide: an Ab Initio Study

We present an ab initio study of dopant-dopant interactions in beryllium-doped InGaAs. We consider defect formation energies of various interstitial and substitutional defects and their combinations. We find that all substitutional-substitutional interactions can be neglected. On the other hand, interactions involving an interstitial defect are significant. Specially, interstitial Be is stabilized by about 0.9/1.0 eV in the presence of one/two BeGa substitutionals. Ga interstitial is also substantially stabilized by Be interstitials. Two Be interstitials can form a metastable Be-Be-Ga complex with a dissociation energy of 0.26 eV/Be. Therefore, interstitial defects and defect-defect interactions should be considered in accurate models of Be doped InGaAs. We suggest that In and Ga should be treated as separate atoms and not lumped into a single effective group III element, as has been done before. We identified dopant-centred states which indicate the presence of other charge states at finite temperatures, specifically, the presence of Beint+1 (as opposed to Beint+2 at 0K).

cond-mat.mtrl-sci↗

arXiv2017

Tunneling frustration induced peculiar supersolid phases in the extended Bose-Hubbard model

By using a state of art tensor network state method, we study the ground-state phase diagram of an extended Bose-Hubbard model on the square lattice with frustrated next-nearest neighboring tunneling. In the hardcore limit, tunneling frustration stabilizes a peculiar half supersolid (HSS) phase with one sublattice being superfluid and the other sublattice being Mott Insulator away from half filling. In the softcore case, the model shows very rich phase diagrams above half filling, including three different types of supersolid phases depending on the interaction parameters. The considered model provides a promising route to experimentally search for novel stable supersolid state induced by frustrated tunneling in below half filling region with dipolar atoms or molecules.

cond-mat.str-el↗

arXiv2017

Knowledge Evolution in Physics Research: An Analysis of Bibliographic Coupling Networks

Even as we advance the frontiers of physics knowledge, our understanding of how this knowledge evolves remains at the descriptive levels of Popper and Kuhn. Using the APS publications data sets, we ask in this letter how new knowledge is built upon old knowledge. We do so by constructing year-to-year bibliographic coupling networks, and identify in them validated communities that represent different research fields. We then visualize their evolutionary relationships in the form of alluvial diagrams, and show how they remain intact through APS journal splits. Quantitatively, we see that most fields undergo weak Popperian mixing, and it is rare for a field to remain isolated/undergo strong mixing. The sizes of fields obey a simple linear growth with recombination. We can also reliably predict the merging between two fields, but not for the considerably more complex splitting. Finally, we report a case study of two fields that underwent repeated merging and splitting around 1995, and how these Kuhnian events are correlated with breakthroughs on BEC, quantum teleportation, and slow light. This impact showed up quantitatively in the citations of the BEC field as a larger proportion of references from during and shortly after these events.

physics.soc-ph↗

arXiv2016

Grown-in beryllium diffusion in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study

A roadblock in utilizing InGaAs for scaled-down electronic devices is its anomalous dopant diffusion behavior; specifically, existing models are not able to explain available experimental data on beryllium diffusion consistently. In this paper, we propose a comprehensive model, taking self-interstitial migration and Be interaction with Ga and In into account. Density functional theory (DFT) calculations are first used to calculate the energy parameters and charge states of possible diffusion mechanisms. Based on the DFT results, continuum modeling and kinetic Monte Carlo simulations are then performed. The model is able to reproduce experimental Be concentration profiles. Our results suggest that the Frank-Turnbull mechanism is not likely, instead, kick-out reactions are the dominant mechanism. Due to a large reaction energy difference, the Ga interstitial and the In interstitial play different roles in the kick-out reactions, contrary to what is usually assumed. The DFT calculations also suggest that the influence of As on Be diffusion may not be negligible.

cond-mat.mtrl-sci↗

arXiv2014

Replica exchange molecular dynamics optimization of tensor network states for quantum many-body systems

The tensor network states (TNS) methods combined with Monte Carlo (MC) techniques have been proved a powerful algorithm for simulating quantum many-body systems. However, because the ground state energy is a highly non-linear function of the tensors, it is easy to get stuck in local minima when optimizing the TNS of the simulated physical systems. To overcome this difficulty, we introduce a replica-exchange molecular dynamics optimization algorithm to obtain the TNS ground state, based on the MC sampling techniques, by mapping the energy function of the TNS to that of a classical dynamical system. The method is expected to effectively avoid local minima. We make benchmark tests on a 1D Hubbard model based on matrix product states (MPS) and a Heisenberg $J_1$-$J_2$ model on square lattice based on string bond states (SBS). The results show that the optimization method is robust and efficient compared to the existing results.

cond-mat.str-el↗