Y. Li

发表

First principles study on the electronic structure of the two chain compounds of [ M(N3)2(HCOO)][(CH3)2NH2] (M=Fe and Co)

Xianhua Wang, J. Zhang, Z. L. Liu, 2008 .

Dynamic microscopic structures and dielectric response in the cubic-to-tetragonal phase transition for BaTiO3 studied by first-principles molecular dynamics simulation

L. Xie, R. Yu, Y. Li, 2010, 1010.6147.

First principle study on the predicted phase transition of MN (M = Zr, La and Th)

Y. Wang, D. Mo, J. Cai, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Dynamic microscopic structures and dielectric response in the cubic-to-tetragonal phase transition for BaTiO3 studied by first-principles molecular dynamics simulation

L. Xie, R. Yu, Y. Li, 2010, 1010.6147.

Orbital characters and electronic correlations in KCo2Se2

Y. Zhao, Y. Cai, S. Borisenko, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Three dimensionality and orbital characters of the Fermi surface in (Tl,Rb)(y)Fe(2-x)Se2.

T. Qian, P. Richard, H. Ding, 2012, Physical review letters.

First-principles study on the metallic antiferromagnet Co[PhPO3]·H2O

K. Yao, G. Gao, Y. Li, 2007 .

First-principles studies on the conductive and ferromagnetic properties of [Mn(ins)(μ1,1-N3)(CH3OH)]2

N. Liu, K. Yao, G. Gao, 2007 .

The electronic structure and the ferromagnetic properties of Fe[CH3PO3]·H2O

K. Yao, S. Qu, Y. Li, 2005 .

First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2

K. Yao, Y. Li, Z. L. Liu, 2007 .

Spin distribution and electronic structure of the ferromagnetic half-metal [Mn(bipy)(N3)2]: Ab initio study

K. Yao, Y. Li, Z. L. Liu, 2007 .

First-principles study on the electronic structure and the ferromagnetic properties of the organic–inorganic hybrid compound Cr[(H3N–(CH2)2–PO3)(Cl)(H2O)]

K. Yao, Y. Li, Z. L. Liu, 2006 .

Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study

G. Gao, K. Yao, J. L. Jiang, 2006 .

Structure, stability and magnetic properties of the Fe3O4(110) surface: Density functional theory study - Discussion

K. Yao, Y. Li, Z. L. Liu, 2007 .

First principles study on the electronic structure of the organic conductors (EDT-TSF)2MCl4 (M = Ga and Fe)

Xianhua Wang, J. Zhang, K. Yao, 2007 .

Mechanical and electronic properties of C60 under structure distortion studied with density functional theory

Kehe Su, Xin Wang, Zhi-yin Wang, 2007 .

Reduced electronic correlation effects in half substituted Ba(Fe1−xCox)2As2

A. Yaresko, P. Dai, S. Borisenko, 2018, Applied Physics Letters.

Orbital characters and near two-dimensionality of Fermi surfaces in NaFe1−xCoxAs

Peter D. Johnson, P. Richard, T. Valla, 2012 .

Atomic, electronic, and magnetic structure of the Au(100)/Fe3O4(100) interface : Density functional theory study

Q. Ning, Q. Lu, K. Yao, 2007 .

Mean interparticle distances between hard particles in one to three dimensions

Z. H. Liu, Y. Li, K. W. Kowk, 2001 .

First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)2L (L=4,4′-bipyridine)

K. Yao, Y. Li, S. Fan, 2007 .

Mechanical and electronic properties of endofullerene Ne@C60 studied via structure distortions

Kehe Su, H. Fan, H. Fan, 2008 .