Lijun Zhang

发表

First-principles study of electron-phonon coupling in hole- and electron-doped diamonds in the virtual crystal approximation

Yanming Ma, Y. Niu, G. Zou, 2005 .

Construction of crystal structure prototype database: methods and applications

Hui Wang, Yanming Ma, Jian Lv, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Genetic design of enhanced valley splitting towards a spin qubit in silicon

Alex Zunger, Jun-Wei Luo, A. Zunger, 2013, Nature Communications.

First-principles study of the pressure-induced rutile–CaCl2 phase transition in MgF2

Yanchao Wang, Yanming Ma, G. Zou, 2008 .

Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity

David J. Singh, Lijun Zhang, M. Du, 2008, 0807.4312.

Phonon instabilities in rocksalt AgCl and AgBr under pressure studied within density functional theory

Yanming Ma, G. Zou, T. Cui, 2006 .

Phonon and elastic instabilities in rocksalt alkali hydrides under pressure : First-principles study

Yanming Ma, Guangtian Zou, Jingyun Zhang, 2007 .

Wide InP nanowires with wurtzite/zincblende superlattice segments are type-II whereas narrower nanowires become type-I: an atomistic pseudopotential calculation.

A. Zunger, Lijun Zhang, V. Zwiller, 2010, Nano letters.

CALYPSO structure prediction method and its wide application

Quan Li, Hui Wang, Yanchao Wang, 2016 .

Computer-Assisted Inverse Design of Inorganic Electrides

Hui Wang, Yanming Ma, Yanchao Wang, 2017 .

Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction

David J. Singh, Yanming Ma, Yanming Ma, 2015, 1502.00171.

N2H: a novel polymeric hydronitrogen as a high energy density material

Yanchao Wang, Lijun Zhang, Ketao Yin, 2015, 1503.03988.

CaCl2-type high-pressure phase of magnesium hydride predicted byab initiophonon calculations

Yanchao Wang, Yanming Ma, G. Zou, 2007 .

Inverse Design of Inorganic Electrides

Yanchao Wang, Yanming Ma, Lijun Zhang, 2016, 1603.04161.

Sn2Se3: A conducting crystalline mixed valent phase change memory compound

David J. Singh, Lijun Zhang, Xiaofeng Fan, 2017 .

Growth and magnetism of ultrathin Fe films on Pt(100)

Q. Xue, J. Jia, Lijun Zhang, 2005 .

The influence of defects on the transport properties of AgSbPb18Te20 prepared at high pressure and high temperature

Yanming Ma, Yi Wang, Y. Niu, 2007 .

Materials discovery via CALYPSO methodology

Quan Li, Hui Wang, Yanchao Wang, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Materials discovery at high pressures

Jian Lv, Yanchao Wang, Yanming Ma, 2017 .

Density functional study of excess Fe in Fe1+xTe: Magnetism and doping

Lijun Zhang, M. Du, D. Singh, 2008, 0810.3274.

Density Functional Study of the Electronic Structure and Magnetism of LaFeAsO alloyed with Zn

David J. Singh, Lijun Zhang, 2010 .

Possible superconductivity in Fe-Sb based materials : Density functional study of LiFeSb

Lijun Zhang, M. Du, A. Subedi, 2008, 0808.2653.

Sn(II)-Containing Phosphates as Optoelectronic Materials

David J. Singh, Yanming Ma, Lijun Zhang, 2016, 1612.01372.

First-principles study of the lattice dynamics, thermodynamic properties and electron-phonon coupling of YB(6)

Yanming Ma, G. Zou, T. Cui, 2007 .

Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

David J. Singh, Yanming Ma, Lijun Zhang, 2016, 1605.08252.

A Unified Understanding of the Thickness-Dependent Bandgap Transition in Hexagonal Two-Dimensional Semiconductors.

Lijun Zhang, Joongoo Kang, S. Wei, 2016, The journal of physical chemistry letters.

Electronic and crystal structures of osmium under high pressure

Yanming Ma, G. Zou, T. Cui, 2005 .

Helium incorporation induced direct-gap silicides

Lijun Zhang, J. Hao, Jingming Shi, 2021, npj Computational Materials.

High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides

David J. Singh, Yanming Ma, R. Needs, 2015, 1510.04415.

Ab initio prediction of superconductivity in molecular metallic hydrogen under high pressure

Yanming Ma, Yi Wang, Y. Niu, 2007 .

Fast Diffusion of Native Defects and Impurities in Perovskite Solar Cell Material CH3NH3PbI3

Lijun Zhang, Wenmei Ming, M. Du, 2016 .

Reinterpretation of the expected electronic density of states of semiconductor nanowires.

A. Zunger, Lijun Zhang, Jun-Wei Luo, 2015, Nano letters.

Genomic design of strong direct-gap optical transition in Si/Ge core/multishell nanowires.

Alex Zunger, Mayeul d'Avezac, Jun-Wei Luo, 2012, Nano letters.

New stable ternary alkaline-earth metal Pb(II) oxides: Ca /Sr /BaPb 2 O 3 and BaPbO 2

David J. Singh, Lijun Zhang, Yuwei Li, 2017 .

Collective-Goldstone-mode-induced ultralow lattice thermal conductivity in Sn-filled skutterudite SnFe4Sb12

David J. Singh, Lijun Zhang, Yuhao Fu, 2018 .

Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides

Yanchao Wang, Yanming Ma, Lijun Zhang, 2015, Scientific Reports.

First-principles studies of structural and electronic properties of hexagonal BC5

Yanming Ma, Zhongyuan Liu, Lijun Zhang, 2006 .

Intrinsic ultralow lattice thermal conductivity of the unfilled skutterudite FeSb 3

David J. Singh, Wu Li, Lijun Zhang, 2016, 1603.06437.

The birth of a type-II nanostructure: carrier localization and optical properties of isoelectronically doped CdSe:Te nanocrystals.

Lijun Zhang, Zhibin Lin, Jun-Wei Luo, 2012, ACS nano.

Vibrational signatures of OTe and OTe–VCd in CdTe: A first-principles study

David J. Singh, A. Janotti, C. Walle, 2010 .

Optical emission enhancement of bent InSe thin films

Jiahao XIE, Lijun ZHANG, Lijun Zhang, 2021, Sci. China Inf. Sci..

Evolution of electronic structure as a function of layer thickness in group-VIB transition metal dichalcogenides: emergence of localization prototypes.

A. Zunger, Lijun Zhang, 2015, Nano letters.

Tellurium Hydrides at High Pressures: High-Temperature Superconductors.

Yanming Ma, Lijun Zhang, Hui Wang, 2015, Physical review letters.

Stabilization of fullerene-like boron cages by transition metal encapsulation.

Jian Lv, Yanchao Wang, Yanming Ma, 2015, Nanoscale.

ATLAS: A real-space finite-difference implementation of orbital-free density functional theory

Quan Li, Hui Wang, Wenhui Mi, 2015, Comput. Phys. Commun..

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode

Lijun Zhang, Wenmei Ming, Tianshu Li, 2017, Advanced science.

High-pressure phase transitions of solid HF, HCl, and HBr: An ab initio evolutionary study

Yanchao Wang, Yanming Ma, Lijun Zhang, 2010 .

Electronic Structure and Thermoelectric Properties: PbBi2Te4 and Related Intergrowth Compounds

David J. Singh, Lijun Zhang, 2010 .

Electronic structure of Ba ( Fe , Ru ) 2 As 2 and Sr ( Fe , Ir ) 2 As 2 alloys

Lijun Zhang, D. Singh, 2009, 0904.3984.

Erratum: Materials discovery at high pressures

Jian Lv, Yanchao Wang, Yanming Ma, 2017 .

Zintl-phase compounds with SnSb4 tetrahedral anions. Electronic structure and thermoelectric properties

David J. Singh, Lijun Zhang, M. Du, 2010 .

Publisher's Note: Computer-Assisted Inverse Design of Inorganic Electrides [Phys. Rev. X 7, 011017 (2017)]

Yanchao Wang, Yanming Ma, Lijun Zhang, 2017 .

Intrinsic Transparent Conductors without Doping.

A. Zunger, Lijun Zhang, Xiuwen Zhang, 2015, Physical review letters.

Electronic structure and thermoelectric properties of layered PbSe-WSe 2 materials

David J. Singh, Lijun Zhang, 2009 .

Anatase (101)-like Structural Model Revealed for Metastable Rutile TiO2(011) Surface.

Sen Shao, Jian Lv, Yanchao Wang, 2017, ACS applied materials & interfaces.

The broken-symmetry phase of solid hydrogen: evidence from infrared and Raman active vibrons

Yanming Ma, Y. Niu, Lijun Zhang, 2007 .

Materials discovery via CALYPSO methodology

Jian Lv, Yanchao Wang, Yanming Ma, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Electromagnetically induced photonic bandgap in hot Cs atoms

Lijun Zhang, X. Su, Z. Zhuo, 2010 .

Genomic design of strong direct-gap optical transition in Si/Ge core/multishell nanowires.

A. Zunger, Lijun Zhang, Jun-Wei Luo, 2012, Nano letters.