First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys

Ma Zhen-Ning;  Jiang Min;  Wang Lei

doi:10.7498/aps.64.187102

First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys

Acta Physica Sinica ◽

10.7498/aps.64.187102 ◽

2015 ◽

Vol 64 (18) ◽

pp. 187102

Author(s):

Ma Zhen-Ning ◽

Jiang Min ◽

Wang Lei

Keyword(s):

Intermetallic Compounds ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

Ternary Intermetallic Compounds ◽

Zn Alloys

Download Full-text

A comparative first-principles study on electronic structures and mechanical properties of ternary intermetallic compounds Al8Cr4Y and Al8Cu4Y: Pressure and tension effects

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2016.07.008 ◽

2016 ◽

Vol 98 ◽

pp. 298-308 ◽

Cited By ~ 9

Author(s):

Wenchao Yang ◽

Mingjun Pang ◽

Yong Tan ◽

Yongzhong Zhan

Keyword(s):

Mechanical Properties ◽

Intermetallic Compounds ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

Ternary Intermetallic Compounds

Download Full-text

Electronic structures and lattice dynamics of ternary intermetallic compounds MAlSi (M = Ca, Sr, Ba) at high pressures: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2014.05.063 ◽

2014 ◽

Vol 92 ◽

pp. 439-443 ◽

Cited By ~ 3

Author(s):

Mei-Jie Zhang ◽

Xue-Han Cui ◽

Guang-Rui Gu ◽

Bao-Jia Wu ◽

Lian-Hua Tian

Keyword(s):

Intermetallic Compounds ◽

First Principles ◽

Electronic Structures ◽

Lattice Dynamics ◽

High Pressures ◽

First Principles Study ◽

Ternary Intermetallic Compounds

Download Full-text

Exploring the structural, mechanical, thermodynamic, and electronic properties of (Ni0.66, Zn0.33)3Sn4 ternary intermetallic compounds by the first-principles study

Journal of Materials Research ◽

10.1557/jmr.2019.410 ◽

2020 ◽

Vol 35 (3) ◽

pp. 263-271

Author(s):

Xiang Lin ◽

Weiwei Zhang ◽

Zhuo Mao ◽

Xiaodong Jian ◽

Ping Wu

Keyword(s):

Electronic Properties ◽

Intermetallic Compounds ◽

First Principles ◽

First Principles Study ◽

Ternary Intermetallic Compounds ◽

Image Position

Abstract

Download Full-text

Band gap and stability in the ternary intermetallic compounds NiSnM(M=Ti,Zr,Hf): A first-principles study

Physical Review B ◽

10.1103/physrevb.51.10443 ◽

1995 ◽

Vol 51 (16) ◽

pp. 10443-10453 ◽

Cited By ~ 264

Author(s):

Serdar Öğüt ◽

Karin M. Rabe

Keyword(s):

Band Gap ◽

Intermetallic Compounds ◽

First Principles ◽

First Principles Study ◽

Ternary Intermetallic Compounds

Download Full-text

First-principles study on mechanical properties and electronic structures of Ti–Al intermetallic compounds

Journal of Materials Research ◽

10.1557/jmr.2018.494 ◽

2019 ◽

Vol 34 (07) ◽

pp. 1112-1120 ◽

Cited By ~ 1

Author(s):

Wenjun Huang ◽

Fenjun Liu ◽

Jianbo Liu ◽

Yaofei Tuo

Keyword(s):

Mechanical Properties ◽

Intermetallic Compounds ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

Image Position

Abstract

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