First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4

Jia Ming-Zhen;  Wang Hong-Yan;  Chen Yuan-Zheng;  Ma Cun-Liang;  Wang Hui

doi:10.7498/aps.64.087101

First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4

Acta Physica Sinica ◽

10.7498/aps.64.087101 ◽

2015 ◽

Vol 64 (8) ◽

pp. 087101

Author(s):

Jia Ming-Zhen ◽

Wang Hong-Yan ◽

Chen Yuan-Zheng ◽

Ma Cun-Liang ◽

Wang Hui

Keyword(s):

Electrochemical Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

Mg Doped

Download Full-text

The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2021.138549 ◽

2021 ◽

Vol 721 ◽

pp. 138549

Author(s):

Yan Zhang ◽

Hua-Xin Chen ◽

Li Duan ◽

Ji-Bin Fan

Keyword(s):

Thermal Properties ◽

Dielectric Permittivity ◽

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

Zirconium Dioxide ◽

Optical Response ◽

First Principles Study ◽

Phonon Spectra

Download Full-text

Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽

10.1039/d0ra09238j ◽

2021 ◽

Vol 11 (5) ◽

pp. 3058-3070

Author(s):

Yu Zhou ◽

Lan-Ting Shi ◽

A-Kun Liang ◽

Zhao-Yi Zeng ◽

Xiang-Rong Chen ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

Electronic Structures ◽

Pressure Range ◽

Mechanical Stability ◽

First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

Download Full-text

First-principles study on the electronic structures and magnetic properties of TM-doped (TM = V, Cr, Mn, and Fe) tetragonal ScN monolayer

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2021.167764 ◽

2021 ◽

Vol 527 ◽

pp. 167764

Author(s):

Xiang Lin ◽

Zhuo Mao ◽

Shengjie Dong ◽

Xiaodong Jian ◽

Rong Han ◽

...

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

Download Full-text

First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/28/cjcp1503038 ◽

2015 ◽

Vol 28 (6) ◽

pp. 681-687 ◽

Cited By ~ 1

Author(s):

Ping Huang ◽

Bo Shang ◽

Ling-jie Li ◽

Jing-lei Lei

Keyword(s):

First Principles ◽

Electronic Structures ◽

Anatase Tio2 ◽

Photocatalytic Properties ◽

La Doping ◽

First Principles Study ◽

Doping Effects

Download Full-text

First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

Superlattices and Microstructures ◽

10.1016/j.spmi.2010.11.006 ◽

2011 ◽

Vol 49 (1) ◽

pp. 81-90 ◽

Cited By ~ 7

Author(s):

Wei-Feng Sun ◽

Mei-Cheng Li ◽

Lian-Cheng Zhao

Keyword(s):

First Principles ◽

Electronic Structures ◽

Relaxation Effect ◽

First Principles Study

Download Full-text

Ferromagnetic coupling in Mg-doped passivated AlN nanowires: A first-principles study

physica status solidi (b) ◽

10.1002/pssb.201147131 ◽

2011 ◽

Vol 249 (1) ◽

pp. 185-189 ◽

Cited By ~ 9

Author(s):

Zhen-Kun Tang ◽

Ling-Ling Wang ◽

Li-Ming Tang ◽

Xiao-Fei Li ◽

Wen-Zhi Xiao ◽

...

Keyword(s):

First Principles ◽

Ferromagnetic Coupling ◽

First Principles Study ◽

Mg Doped

Download Full-text

First-principles study on the atomic and electronic structures of the Au/Si(111)-α(√3 × √3)R30° surface

e-Journal of Surface Science and Nanotechnology ◽

10.1380/ejssnt.2004.146 ◽

2004 ◽

Vol 2 ◽

pp. 146-150 ◽

Cited By ~ 8

Author(s):

Takuya Kadohira ◽

Jun Nakamura ◽

Satoshi Watanabe

Keyword(s):

First Principles ◽

Electronic Structures ◽

First Principles Study

Download Full-text

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications

Materials Science and Engineering B ◽

10.1016/j.mseb.2018.12.006 ◽

2018 ◽

Vol 238-239 ◽

pp. 50-60 ◽

Cited By ~ 2

Author(s):

M. Hassan ◽

N. Akhtar ◽

Q. Mahmood ◽

A. Laref

Keyword(s):

First Principles ◽

Electronic Structures ◽

Thermoelectric Device ◽

First Principles Study ◽

Device Applications

Download Full-text

Structural, chemical bonding and optoelectronic properties of Mg doped zinc chalcogenides: A first principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2014.09.016 ◽

2014 ◽

Vol 26 ◽

pp. 681-689 ◽

Cited By ~ 23

Author(s):

Naeem Ullah ◽

G. Murtaza ◽

R. Khenata ◽

Jan Rehman ◽

Haleem Ud Din ◽

...

Keyword(s):

Chemical Bonding ◽

First Principles ◽

Optoelectronic Properties ◽

First Principles Study ◽

Mg Doped

Download Full-text

First-principles study on the electronic structures of spin-Peierls compound GeCuO3

Acta Physica Sinica ◽

10.7498/aps.57.2368 ◽

2008 ◽

Vol 57 (4) ◽

pp. 2368

Author(s):

Ming Xing ◽

Fan Hou-Gang ◽

Hu Fang ◽

Wang Chun-Zhong ◽

Meng Xing ◽

...

Keyword(s):

First Principles ◽

Electronic Structures ◽

First Principles Study

Download Full-text

First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4

The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

First-principles study on the electronic structures and magnetic properties of TM-doped (TM = V, Cr, Mn, and Fe) tetragonal ScN monolayer

First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

Ferromagnetic coupling in Mg-doped passivated AlN nanowires: A first-principles study

First-principles study on the atomic and electronic structures of the Au/Si(111)-α(√3 × √3)R30° surface

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications

Structural, chemical bonding and optoelectronic properties of Mg doped zinc chalcogenides: A first principles study

First-principles study on the electronic structures of spin-Peierls compound GeCuO3

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications