Publications (16)
Manipulating Spin-Lattice Coupling in Layered Magnetic Topological Insulator Heterostructure Interface Engineering
Sujan Maity, Dibyendu Dey, Anudeepa Ghosh +13
Induced magnetic order in a topological insulator (TI) can be realized either by depositing magnetic adatoms on the surface of a TI or engineering the interface with epitaxial thin…
First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides
Niraj K. Nepal, Liping Yu, Qimin Yan +1
The mechanical and electronic properties of transition metal dichalcogenide (TMD) monolayers corresponding to transition groups IV, VI, and X are explored under mechanical bending…
Cu-In Halide Perovskite solar absorbers
Xin-Gang Zhao, Dongwen Yang, Yuanhui Sun +4
The long-term chemical instability and the presence of toxic Pb in otherwise stellar solar absorber APbX have hindered their large-scale commercialization. Previously explore…
Intrinsic ferromagnetism and restrictive thermodynamic stability in MAN and Janus VSiGeN monolayers
Dibyendu Dey, Avijeet Ray, Liping Yu
The seminal experimental discovery of the remarkably stable MoSiN monolayer has led to a handful of predicted magnetic two-dimensional (2D) materials in the MAZ fam…
False-positive and False-negative assignments of Topological Insulators in Density-Functional Theory and Hybrids
Julien Vidal, Xiuwen Zhang, Liping Yu +2
Density-functional Theory (DFT) approaches have recently been used to judge the topological order of various materials despite its well-known band gap underestimation. Use of the m…
Descriptor-Enabled Rational Design of High-Entropy Materials Over Vast Chemical Spaces
Dibyendu Dey, Liangbo Liang, Liping Yu
The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional materials design and discovery. How…