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Renhui Liu

Publications and source records attributed to Renhui Liu.

2 recordsLinked to original sources

2D ferroelectric narrow-bandgap semiconductor Wurtzite' type alpha-In2Se3 and its silicon-compatible growth

2D van der Waals ferroelectrics, particularly alpha-In2Se3, have emerged as an attractive building block for next-generation information storage technologies due to their moderate band gap and robust ferroelectricity stabilized by dipole locking. alpha-In2Se3 can adopt either the distorted zincblende or wurtzite structures; however, the wurtzite phase has yet to be experimental-ly validated, and its large-scale synthesis poses significant challenges. Here, we report an in-situ transport growth of centimeter-scale wurtzite type alpha-In2Se3 films directly on SiO2 substrates using a process combining pulsed laser deposition and chemical vapor deposition. We demonstrate that it is a narrow bandgap ferroelectric semiconductor, featuring a Curie tem-perature exceeding 620 K, a tunable bandgap (0.8-1.6 eV) modulated by charged domain walls, and a large optical absorption coefficient of 1.3 times 10 powers 6 per centemeter. Moreover, light absorption promotes the dynamic conductance range, linearity, and symmetry of the synapse devices, leading to a high recognition accuracy of 92.3 percent in a supervised pattern classification task for neuromorphic computing. Our findings demonstrate a ferroelectric polymorphism of In2Se3, highlighting its potential in ferroelectric synapses for neuromorphic computing.

cond-mat.mtrl-sci

QR$^2$-code: An open-source program for double resonance Raman spectra

We present an open-source program, QR$^2$-code, that computes double-resonance Raman (DRR) spectra using first-principles calculations. QR$^2$-code can calculate not only two-phonon DRR spectra but also single-resonance Raman spectra and defect-induced DRR spectra. For defect-induced DDR spectra, we simply assume that the electron-defect matrix element of elastic scattering is a constant. Hands-on tutorials for graphene are given to show how to run QR$^2$-code for single-resonance, double-resonance, and defect-induced Raman spectra. We also compare the single-resonance Raman spectra by QR$^2$-code with that by QERaman code. In QR$^2$-code, the energy dispersions of electron and phonon are taken from Quantum ESPRESSO (QE) code, and the electron-phonon matrix element is obtained from the electron-phonon Wannier (EPW) code. All codes, examples, and scripts are available on the GitHub repository.

cond-mat.mtrl-sci