46 citations · 109 across the 5 of their papers we have counts for
7 papers
Noncollinear ferrielectricity and morphotropic phase boundary in GeS monolayer
Shi-Xin Song, Yang Zhang, Jie Guan +1
Two-dimensional polarity is intriguing but remains in the early stage. Here a structural evolution diagram is established for GeS monolayer, which leads a noncollinear ferrielectri…
Low-symmetry two-dimensional BNP and CSiS structures with high and anisotropic carrier mobilities
Shixin Song, Jie Guan, David Tománek
We study the stability and electronic structure of previously unexplored two-dimensional (2D) ternary compounds BNP and CSiS. Using density functional theory,…
Changing the Phosphorus Allotrope from a Square Columnar Structure to a Planar Zigzag Nanoribbon by Increasing the Diameter of Carbon Nanotube Nanoreactors
Jinying Zhang, Chengcheng Fu, Shixin Song +10
Elemental phosphorus nanostructures are notorious for a large number of allotropes, which limits their usefulness as semiconductors. To limit this structural diversity, we synthesi…
Oxidized silicon sulfide: stability and electronic properties of a novel two-dimensional material
Zhengnan Li, Shuai Dong, Jie Guan
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Bin…
Can CF(3)-functionalized La@C(60) be isolated experimentally and become superconducting?
Jie Guan, David Tomanek
Superconducting behavior even under harsh ambient conditions is expected to occur in La@C(60) if it could be isolated from the primary metallofullerene soot when functionalized by…
Two-dimensional phosphorus carbide: Competition between sp2 and sp3 bonding
Jie Guan, Dan Liu, Zhen Zhu +1
We propose previously unknown allotropes of phosphorus carbide (PC) in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition…