Kaihua He

发表

First-principles study on adsorption of Au atom on hydroxylated SiO2 surface

H. Hong, Miao Wan, Kaihua He, 2011 .

REACTIVITY AND STABILITY OF OXYGEN VACANCIES ON TiO2 ANATASE (101) SURFACE: FIRST-PRINCIPLES CALCULATIONS

Chao-qun Tang, Kaihua He, Qili Chen, 2011 .

First principles study on the electronic structure and effect of vanadium doping of BN nanowires

B. Kirtman, X. -. Wang, G. Ji, 2010 .

First-principles study of hydrogen adsorption on titanium-decorated single-layer and bilayer graphenes

Y. Ouyang, Kaihua He, Hongzhe Pan, 2013 .

GGA+U study of the electronic and optical properties of hexagonal BN phase ZnO under pressure

Juan Wu, T. Lü, Kaihua He, 2015 .

The GGA+U method studied the effects of Cu doping on the formation energy, electronic and optical properties of V-doped ZnO

Hongjuan Wang, Kaihua He, Qingbo Wang, 2017 .

Effect of oxygen vacancies on the electronic structure and transport properties of SrRuO3 thin films

Jingsheng Chen, Cheng-Jun Sun, G. Chow, 2013 .

Effects of single oxygen vacancy on electronic structure and ferromagnetism for V-doped TiO2

G. Ji, G. Chen, T. Lü, 2007 .

Ab initio study of structural, electronic and optical properties of MnHg(SCN)4 and FeHg(SCN)4

G. Ji, G. Chen, T. Lü, 2007 .

Structure, electric, elastic and optical properties of Mn2+-doped MgAl2O4 spinel with/without an O-vacancy

H. Hong, Miao Wan, Kaihua He, 2018, Physica B: Condensed Matter.

First-principles study of spin transition and seismic properties of ferric iron-bearing post-perovskite with oxygen vacancy

G. Ji, Miao Wan, Kaihua He, 2015, Physics and Chemistry of Minerals.

Two-Dimensional Ordering of Ionic Liquids Confined by Layered Silicate Plates via Molecular Dynamics Simulation

Xiaolong Zhang, Zhifei Yan, Kaihua He, 2015 .

First principles and Debye model study of the thermodynamic, electronic and optical properties of MgO under high-temperature and pressure

Hongjuan Wang, Kaihua He, Qingbo Wang, 2017 .

Effects of iron spin transition on the electronic structure, thermal expansivity and lattice thermal conductivity of ferropericlase: a first principles study

Miao Wan, Kaihua He, Qili Chen, 2019, Scientific Reports.

Low Magnetic Damping of Epitaxial NiFe (100) Thin Films Grown on Different Substrate

Kaihua He, Chao Sun, F. Jin, 2021 .

(001) textured L10-FePt pseudo spin valve with TiN spacer

Jingsheng Chen, P. Ho, G. Chow, 2011 .

First principles study of magnetic anisotropy and magnetoelectric effect of FePd/MgO(001) ultrathin films

Jingsheng Chen, Kaihua He, 2013 .

The electronic structure and ferromagnetism of TM (TM=V, Cr, and Mn)-doped BN(5, 5) nanotube: A first-principles study

G. Ji, G. Chen, Miao Wan, 2008 .

FIRST PRINCIPLES STUDY OF THE ELECTRONIC STRUCTURE AND FERROMAGNETISM OF THE V-DOPED BN(5, 5) NANOTUBE

G. Ji, G. Chen, Miao Wan, 2008 .

Theoretical investigations on the structural stability, structural and physical properties, and bonding feature for RuX (X = Si, Ge, Sn) with B20 and B2 phases

Wei Dai, Shubo Cheng, Yuanyuan Jin, 2020 .

Structural, elastic, electronic and optical properties of lithium halides (LiF, LiCl, LiBr, and LiI): First-principle calculations

Wei Dai, Kaihua He, Jingjing Wang, 2020, Materials Chemistry and Physics.

The effect of the Zn/Sn ratio on the formation of single phase kesterite Cu 2 ZnSnS 4 solar cell material

Jian Sun, Jianmei Xu, Chun-hua Tang, 2017 .

Ultra-thin L10-FePt for perpendicular anisotropy L10-FePt/Ag/[Co/Pd]30 pseudo spin valves

Jingsheng Chen, P. Ho, G. Chow, 2014 .

Effects of spacer thickness on perpendicular anisotropy L10-FePt/TiN/L10-FePt pseudo spin valves

Jingsheng Chen, P. Ho, G. Chow, 2012 .

Influence of Cu dopant on the electronic and optical properties of graphene-like ZnO monolayer

Huifeng Zhao, Hongjuan Wang, Lei Hao, 2020 .

The optical properties of NiAs phase ZnO under pressure calculated by GGA+U method

Kaihua He, Qingbo Wang, Cuicui Zhou, 2014 .

Geometric and electronic diversity of metal doped boron clusters

Bole Chen, G. Gutsev, G. L. Gutsev, 2023, Journal of physics. Condensed matter : an Institute of Physics journal.

FIRST-PRINCIPLES CALCULATIONS ON ELECTRONIC STRUCTURES OF TiO2 ANATASE (101) SURFACES WITH N IMPURITIES

Kaihua He, G. Zheng, Bo-chao Li, 2011 .

COMPARATIVE STUDY OF THE STRUCTURAL AND ELECTRONIC PROPERTIES OF BN(5, 5) AND C(5, 5) NANOTUBES UNDER PRESSURE

G. Ji, Miao Wan, Kaihua He, 2010 .

The role of octahedral tilting in the structural phase transition and magnetic anisotropy in SrRuO3 thin film

Jingsheng Chen, Cheng-Jun Sun, J. Chai, 2013 .

First-principles calculations on electronic structures of Fe-vacancy-codoped TiO2 anatase (1 0 1) surface

Kaihua He, G. Zheng, Anmin Zheng, 2011 .

The thermodynamic, electronic and optical properties of GeP type ZnO under pressure calculated by Debye model and hybrid function

Jian Sun, Hongjuan Wang, Miao Wan, 2018, Materials Chemistry and Physics.

First principles study of the Mn-doping effect on the physical and chemical properties of mullite-family Al2SiO5.

Yongping Zheng, Kyeongjae Cho, B. Shan, 2017, Physical chemistry chemical physics : PCCP.

First principles studied tunable electronic and optical properties of 2D honeycomb ZnO monolayer engineered by biaxial strain and intrinsic vacancy

Huifeng Zhao, Miao Wan, Kaihua He, 2020 .

Lattice thermal conductivity of Mg_2SiO_4 olivine and its polymorphs under extreme conditions

Kaihua He, W. Dai, Wenxin Dong, 2023, Physics and Chemistry of Minerals.

Comparatively study of the electronic structure, thermal expansivity and lattice thermal conductivity of CaOn (n = 1, 2, 3)

Kaihua He, Wenxin Dong, Yangyang Ma, 2022, Physica B: Condensed Matter.

The thickness, electric field, and strain effects on the magnetic anisotropy of FeCo/MgO(001) thin films: A first principles study

Jingsheng Chen, Kaihua He, 2012 .

First-principles study on the electronic and optical properties of two-dimensional graphene-like Zn1−xVxO (x = 0.0625, 0.125) monolayer

Hai Wang, Huifeng Zhao, Miao Wan, 2019, Physica E: Low-dimensional Systems and Nanostructures.

First principles study of the electric field effect on magnetization and magnetic anisotropy of FeCo/MgO(001) thin film

Yuan Ping Feng, Jingsheng Chen, Jingsheng Chen, 2011 .

Asymmetric Fabry-Pérot fiber-optic pressure sensor for liquid-level measurement.

Zhengjia Li, Danqing Xia, Zhengjia Li, 2009, The Review of scientific instruments.

The electronic, optical and water splitting properties in two-dimensional hematite Fe2O3 semiconductors with uniaxial, biaxial strain studied by first principles

Jiying Zhang, B. Fang, Miao Wan, 2023, Physica E: Low-dimensional Systems and Nanostructures.

FIRST-PRINCIPLES STUDY OF THE EFFECTS OF THE OXYGEN VACANCY ON ELECTRONIC STRUCTURE AND FERROMAGNETISM OF Sn2 Co2O8-δ

G. Ji, H. Hong, Miao Wan, 2010 .

The GGA+U method studied the effects of Cu doping on the formation energy, electronic and optical properties of V-doped ZnO

Kaihua He, Qingbo Wang, Huayang Li, 2017, Optical and Quantum Electronics.