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

Serdar Öğüt; Karin M. Rabe

doi:10.1103/physrevb.51.10443

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

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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

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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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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

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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

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Tunability of Structure, Polarization, and Band Gap of High TC Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03980 ◽

2021 ◽

Author(s):

P. S. Ghosh ◽

J. Doherty ◽

S. Lisenkov ◽

I. Ponomareva

Keyword(s):

Hydrostatic Pressure ◽

Band Gap ◽

First Principles ◽

High Tc ◽

First Principles Study

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Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 43

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Corrigendum to “Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study” [Surface Science 700 (2020) 121651]

Surface Science ◽

10.1016/j.susc.2020.121719 ◽

2020 ◽

Vol 702 ◽

pp. 121719

Author(s):

Kazume Nishidate ◽

Satoru Tanibayashi ◽

Michiaki Matsukawa ◽

Masayuki Hasegawa

Keyword(s):

Symmetry Breaking ◽

Band Gap ◽

Surface Science ◽

First Principles ◽

First Principles Study ◽

Gap Opening

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Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2019.106320 ◽

2020 ◽

Vol 137 ◽

pp. 106320 ◽

Cited By ~ 6

Author(s):

D.M. Hoat ◽

Mosayeb Naseri ◽

Nguyen N. Hieu ◽

R. Ponce-Pérez ◽

J.F. Rivas-Silva ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Chemical Functionalization ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band

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Band gap engineering of FeS2 under biaxial strain: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03453h ◽

2014 ◽

Vol 16 (44) ◽

pp. 24466-24472 ◽

Cited By ~ 25

Author(s):

Pin Xiao ◽

Xiao-Li Fan ◽

Li-Min Liu ◽

Woon-Ming Lau

Keyword(s):

Band Gap ◽

First Principles ◽

Tensile Strain ◽

Biaxial Strain ◽

Band Gap Engineering ◽

First Principles Study ◽

Maximum Value

The band gap increases with increasing tensile strain to its maximum value at 6% strain and then decreases.

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Direct band gap narrowing and light-harvesting-potential in orthorhombic In-doped-AlFeO3 perovskite: A first principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2018.03.388 ◽

2018 ◽

Vol 750 ◽

pp. 312-319 ◽

Cited By ~ 7

Author(s):

G. Sudha Priyanga ◽

Tiju Thomas

Keyword(s):

Band Gap ◽

First Principles ◽

Light Harvesting ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band ◽

Band Gap Narrowing

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