Influence of M/A substitution on material properties of intermetallic compounds MSn2 (M = Fe, and Co; A = Li, and Na): a first-principles study

Chol-Jun Yu; Un-Song Hwang; Yong-Chol Pak; Kyonga Rim; Chol Ryu; Chon-Ryong Mun; Un-Gi Jong

doi:10.1039/d0nj04537c

Influence of M/A substitution on material properties of intermetallic compounds MSn2 (M = Fe, and Co; A = Li, and Na): a first-principles study

New Journal of Chemistry ◽

10.1039/d0nj04537c ◽

2020 ◽

Vol 44 (48) ◽

pp. 21218-21227

Author(s):

Chol-Jun Yu ◽

Un-Song Hwang ◽

Yong-Chol Pak ◽

Kyonga Rim ◽

Chol Ryu ◽

...

Keyword(s):

Dft Calculations ◽

Electronic Properties ◽

Intermetallic Compounds ◽

Material Properties ◽

First Principles ◽

First Principles Study

Structural, elastic, and electronic properties, phonons, and defects of MASn2 (M = Fe, and Co; A = Li, and Na) were studied with DFT calculations.

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First-principles study of structural stabilities and electronic properties of Mg–Nd intermetallic compounds

Physica B Condensed Matter ◽

10.1016/j.physb.2007.12.016 ◽

2008 ◽

Vol 403 (13-16) ◽

pp. 2344-2348 ◽

Cited By ~ 17

Author(s):

J.Z. Peng ◽

Y.F. Wang ◽

M.F. Gray

Keyword(s):

Electronic Properties ◽

Intermetallic Compounds ◽

First Principles ◽

First Principles Study

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Phase stability, elastic and electronic properties of Cu–Zr binary system intermetallic compounds: A first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2013.11.018 ◽

2014 ◽

Vol 588 ◽

pp. 96-102 ◽

Cited By ~ 50

Author(s):

Jinglian Du ◽

Bin Wen ◽

Roderick Melnik ◽

Yoshiyuki Kawazoe

Keyword(s):

Binary System ◽

Electronic Properties ◽

Intermetallic Compounds ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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Dioxin sensing properties of graphene and hexagonal boron nitride based van der Waals solids: a first-principles study

RSC Advances ◽

10.1039/c6ra18976h ◽

2016 ◽

Vol 6 (108) ◽

pp. 107114-107126 ◽

Cited By ~ 5

Author(s):

M. Kamaraj ◽

J. Vijaya Sundar ◽

V. Subramanian

Keyword(s):

Boron Nitride ◽

Dft Calculations ◽

Electronic Properties ◽

First Principles ◽

Hexagonal Boron Nitride ◽

Van Der Waals ◽

Two Dimensional ◽

Sensing Properties ◽

First Principles Study

The changes in the electronic properties of single and bilayers of graphene and hexagonal boron nitride two dimensional sheets have been investigated upon interaction with 2,3,7,8-tetrachlorodibenzo-p-dioxin by employing the DFT calculations.

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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

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Structural, anisotropic elastic and electronic properties of Sr–Zn binary system intermetallic compounds: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2014.12.034 ◽

2015 ◽

Vol 99 ◽

pp. 381-389 ◽

Cited By ~ 19

Author(s):

Wen-Cheng Hu ◽

Yong Liu ◽

De-Jiang Li ◽

Hua-Lan Jin ◽

Ying-Xuan Xu ◽

...

Keyword(s):

Binary System ◽

Electronic Properties ◽

Intermetallic Compounds ◽

First Principles ◽

First Principles Study ◽

Anisotropic Elastic

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First-principles study of structural and electronic properties of Al–Os intermetallic compounds

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2013.07.053 ◽

2013 ◽

Vol 581 ◽

pp. 109-114 ◽

Cited By ~ 7

Author(s):

Gang Yao ◽

Yiding Liu ◽

Weibin Zhang ◽

Xinyou An ◽

Yu Chen ◽

...

Keyword(s):

Electronic Properties ◽

Intermetallic Compounds ◽

First Principles ◽

First Principles Study ◽

Structural And Electronic Properties

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First-principles study of stability, electronic properties and anisotropic elasticity of Al3M (M=Ti, Ta, V, Nb, Hf) intermetallic compounds

Physica B Condensed Matter ◽

10.1016/j.physb.2020.412294 ◽

2020 ◽

Vol 594 ◽

pp. 412294 ◽

Cited By ~ 1

Author(s):

Yong Cao ◽

Cong Zhang ◽

Shenggang Zhou ◽

Yang Xu ◽

Bin Peng ◽

...

Keyword(s):

Electronic Properties ◽

Intermetallic Compounds ◽

First Principles ◽

Anisotropic Elasticity ◽

First Principles Study

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First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

Japanese Journal of Applied Physics ◽

10.7567/1347-4065/ab06b2 ◽

2019 ◽

Vol 58 (SC) ◽

pp. SCCB35 ◽

Cited By ~ 1

Author(s):

Tomoe Yayama ◽

Anh Khoa Augustin Lu ◽

Tetsuya Morishita ◽

Takeshi Nakanishi

Keyword(s):

Temperature Effect ◽

Electronic Properties ◽

First Principles ◽

Two Dimensional ◽

First Principles Study

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Mechanical and electronic properties of 2D black phosphorene nanoribbons: A first-principles study

IOP Conference Series Earth and Environmental Science ◽

10.1088/1755-1315/702/1/012022 ◽

2021 ◽

Vol 702 (1) ◽

pp. 012022

Author(s):

Yufei Miao ◽

Luwu He

Keyword(s):

Electronic Properties ◽

First Principles ◽

First Principles Study ◽

Black Phosphorene

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Geometric, electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters: A first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp05642a ◽

2021 ◽

Author(s):

Wei-Feng Xie ◽

Hao-Ran Zhu ◽

Shi-Hao Wei

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

First Principles ◽

Density Functional ◽

Inverse Design ◽

Functional Theory ◽

First Principles Study

The structural evolutions and electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters are investigated by using the first$-$principles methods based on density functional theory (DFT). We use Inverse design of materials by...

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