X. Gong

activity

20102026

most citedFirst-principles Study On The Electronic And Optical Properties Of Cubic ABX3 Halide Perovskites

309 citations · 1.3k across the 28 of their papers we have counts for

collaborators

Showing 2011Show all

3 papers · 1 filter

cond-mat.mtrl-sci2011★ 48 cited

First Principles Study of Adsorption of $O_{2}$ on Al Surface with Hybrid Functionals

Heng-Rui Liu, Hongjun Xiang, X. G. Gong

Adsorption of $O_{2}$ molecule on Al surface has been a long standing puzzle for the first principles calculation. We have studied the adsorption of $O_{2}$ molecule on the Al(111)…

cond-mat.str-el2011★ 156 cited

General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order

H. J. Xiang, E. J. Kan, Y. Zhang +2

The ferroelectric polarization of triangular-lattice antiferromagnets induced by helical spin-spiral order is not explained by any existing model of magnetic-order-driven ferroelec…

math.NA2011

Numerical Analysis of Finite Dimensional Approximations of Kohn-Sham Models

Huajie Chen, Xingao Gong, Lianhua He +2

In this paper, we study finite dimensional approximations of Kohn-Sham models, which are widely used in electronic structure calculations. We prove the convergence of the finite di…

First Principles Study of Adsorption of O2​ on Al Surface with Hybrid Functionals

General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order

Numerical Analysis of Finite Dimensional Approximations of Kohn-Sham Models

First Principles Study of Adsorption of $O_{2}$ on Al Surface with Hybrid Functionals