16 citations · 22 across the 4 of their papers we have counts for
6 papers · 1 filter
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…
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…