121 citations · 229 across the 6 of their papers we have counts for
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Layer-parity-defined surface polarization in NbCl for excitonic modulation at van der Waals interfaces
Xinyue Huang, Hansheng Xu, Yuchen Gao +10
The intrinsic symmetry breaking in the breathing kagome lattice of layered NbCl provides a unique mechanism for realizing electrically polar surfaces. In each monolayer, th…
2D ferroelectric narrow-bandgap semiconductor Wurtzite' type alpha-In2Se3 and its silicon-compatible growth
Yuxuan Jiang, Xingkun Ning, Renhui Liu +17
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…
QR-code: An open-source program for double resonance Raman spectra
Jianqi Huang, Renhui Liu, Ye Zhang +4
We present an open-source program, QR-code, that computes double-resonance Raman (DRR) spectra using first-principles calculations. QR-code can calculate not only two-phono…
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO
Nguyen T. Hung, Jianqi Huang, Yuki Tatsumi +2
We present an open-source program QERaman that computes first-order resonance Raman spectroscopy of materials using the output data from Quantum ESPRESSO. Complex values of Raman t…
Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor
Ji Qi, Baojuan Dong, Zhe Zhang +19
A solid with larger sound speeds exhibits higher lattice thermal conductivity (k_{lat}). Diamond is a prominent instance where its mean sound speed is 14400 m s-1 and k_{lat} is 23…
New two-dimensional phase of tin chalcogenides: candidates for high-performance thermoelectric materials
Baojuan Dong, Zhenhai Wang, Nguyen T. Hung +4
Tin-chalcogenides SnX (X = Te, Se and S) have been arousing research interest due to their thermoelectric physical properties. The two-dimensional (2D) counterparts, which are expe…