16 citations · 75 across the 11 of their papers we have counts for
11 papers
Magnetic molecule tunnel heterojunctions
Xuanyuan Jiang, Andrew Brooks, Shuanglong Liu +6
We characterize molecular magnet heterojunctions in which sublimated CoPc films as thin as 5 nm are sandwiched between transparent conducting bottom-layer indium tin oxide and top-…
Clar's goblet on graphene: field modulated charge transfer in a hydrocarbon heterostructure
Adam V. Bruce, Shuanglong Liu, James N. Fry +1
In certain configurations, the aromatic properties of benzene ring structured molecules allow for unpaired, reactive valence electrons (known as radicals). Clar's goblets are such…
Insights to negative differential resistance in \texorpdfstring{MoS\textsubscript{2}}{MoS2} Esaki diodes: a first-principles perspective
Adam V. Bruce, Shuanglong Liu, James N. Fry +1
\ce{MoS_2} is a two dimensional material with a band gap depending on the number of layers and tunable by an external electric field. The experimentally observed intralayer band-to…
Multiple Control of Few-layer Janus MoSSe Systems
Shuanglong Liu, James N. Fry, Hai-Ping Cheng
In this computational work based on density functional theory we study the electronic and electron transport properties of asymmetric multi-layer MoSSe junctions, known as Janus ju…
Single-Molecule Magnet Mn on GaAs-supported Graphene: Gate Field Effects From First Principles
Shuanglong Liu, Maher Yazback, James N. Fry +2
We study gate field effects on the MnO(COOH)(HO) | graphene | GaAs heterostructure via first-principles calculations. We find that under moderate dopin…
First-principles study of magnetism and electric field effects in 2D systems
Hai-Ping Cheng, Shuanglong Liu, Xiao Chen +2
This review article provides a bird's-eye view of what first-principles based methods can contribute to next-generation device design and simulation. After a brief overview of meth…
First-principles calculation of gate-tunable ferromagnetism in magic-angle twisted bilayer graphene under pressure
Xiao Chen, Shuanglong Liu, James N Fry +1
Magic-angle twisted bilayer graphene (MATBG) is notable as a highly tunable platform for investigating strongly correlated phenomena such as high- superconductivity and quantu…
First-Principles study of an S = 1 quasi-1D quantum molecular magnetic material
Maher Yazback, Jie-Xiang Yu, Shuanglong Liu +3
We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet (DTN). Recent work h…
Gate field effects on the topological insulator BiSbTeSe2 interface
Shuanglong Liu, Yang Xu, Yun-Peng Wang +3
Interfaces between two topological insulators are of fundamental interest in condensed matter physics. Inspired by experimental efforts, we study interfacial processes between two…
Massless Dirac Fermions in Graphene under an External Periodic Magnetic Field
Shuanglong Liu, Argo Nurbawono, Na Guo +1
By solving two-component spinor equation for massless Dirac Fermions, we show that graphene under a periodic external magnetic field exhibits a unique energy spectrum: At low energ…
Electronic and Transport Properties of Molecular Junctions under a Finite Bias: A Dual Mean Field Approach
Shuanglong Liu, Yuan Ping Feng, Chun Zhang
We show that when a molecular junction is under an external bias, its properties can not be uniquely determined by the total electron density in the same manner as the density func…