785 citations · 976 across the 6 of their papers we have counts for
6 papers
Two-dimensional ferromagnetic-ferroelectric multiferroics in violation of the d0 rule
Hengxin Tan, Menglei Li, Haitao Liu +3
Contribution of d-electron to ferroelectricity of type-II multiferroics causes strong magneto-electric coupling and distinguishes them from the conventional type-I multiferroics. H…
Understanding the origin of bandgap problem in transition and post-transition metal oxides
Hengxin Tan, Haitao Liu, Yuanchang Li +2
Improving electronic structure calculations for practical and technologically-important materials has been a never-ending pursue. This is especially true for transition and post-tr…
Electronic nature of coverage-dependent nanosurface effect by cooperative orbital redistribution
Guolei Xiang, Yan Tang, Zigeng Liu +6
Nanomaterial surface states can effectively modify or even dominate their physical and chemical properties due to large surface-to-volume ratios. Such surface effects are highly de…
Structural and electronic properties of ScnOm (n=1~3, m=1~2n) clusters: Theoretical study using screened hybrid density functional theory
Yu Yang, Haitao Liu, Ping Zhang
The structural and electronic properties of small scandium oxide clusters ScnOm (n = 1 - 3, m = 1 - 2n) are systematically studied within the screened hybrid density functional the…
Atmospheric Oxygen Binding and Hole Doping in Deformed Graphene on a SiO2 Substrate
Sunmin Ryu, Li Liu, Stephane Berciaud +5
Using micro-Raman spectroscopy and scanning tunneling microscopy, we study the relationship between structural distortion and electrical hole doping of graphene on a silicon dioxid…
Selective adsorption of first-row atoms on boron nitride nanotubes: the effect of localized states
Jia Li, Gang Zhou, Haitao Liu +1
First-principles calculations reveal that the adsorption of representative first-row atoms with different electronegativity, such as lithium (Li), carbon (C) and fluorine (F), on z…