616 citations · 1.2k across the 10 of their papers we have counts for
10 papers
Topological end state and enhanced thermoelectric performance of a supramolecular device
Wenlai Mu, Nisar Muhammad, Huaihong Guo +3
Supramolecular device (SMD) with topological end states and a noncovalent junction is rarely investigated but deemed promising for thermoelectric (TE) applications. We designed a n…
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…
First-principles calculations of double resonance Raman spectra for monolayer MoTe
Jianqi Huang, Huaihong Guo, Lin Zhou +5
Since double resonance Raman (DRR) spectra are laser-energy dependent, the first-principles calculations of DRR for two-dimensional materials are challenging. Here, the DRR spectru…
Gate tunable giant anisotropic resistance in ultra-thin GaTe
Hanwen Wang, Mao-Lin Chen, Mengjian Zhu +19
In crystals, the duplication of atoms often follows different periodicity along different directions. It thus gives rise to the so called anisotropy, which is usually even more pro…
Electric-field control of magnetism in few-layered van der Waals magnet
Zhi Wang, Tong-Yao Zhang, Mei Ding +16
Manipulating quantum state via electrostatic gating has been intriguing for many model systems in nanoelectronics. When it comes to the question of controlling the electron spins,…
Spontaneous antiferromagnetic order and strain effect on electronic properties of -graphyne
Baojuan Dong, Huaihong Guo, Zhiyong Liu +5
Using hybrid exchange-correlation functional in ab initio density functional theory calculations, we study magnetic properties and strain effect on the electronic properties of …
Double resonance Raman modes in mono- and few-layer MoTe
Huaihong Guo, Teng Yang, Mahito Yamamoto +7
We study the second-order Raman process of mono- and few-layer MoTe, by combining {\em ab initio} density functional perturbation calculations with experimental Raman spectrosc…
Strain-induced magnetism in MoS2 monolayer with defects
Peng Tao, Huaihong Guo, Teng Yang +1
The strain-induced magnetism is observed in single-layer MoS2 with atomic single vacancies from density functional calculations. Calculated magnetic moment is no less than 2muB per…
Doping effect on thermoelectric properties of MoS
Huaihong Guo, Teng Yang, Peng Tao +1
We systematically study thermoelectric properties of layered MoS by doping, based on Boltzmann transport theory and first-principles calculations. We obtain optimal doping regi…
High pressure effect on structure, electronic structure and thermoelectric properties of MoS
Huaihong Guo, Teng Yang, Peng Tao +2
We systematically study the effect of high pressure on the structure, electronic structure and transport properties of 2H-MoS, based on first-principles density functional calc…