Pressure effects on structure, mechanical properties and thermal conductivity of V2SnC: a first-principles study

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2021.1988747 ◽

2021 ◽

pp. 1-16

Author(s):

Ying Y. Liu ◽

Yi X. Wang ◽

Zheng X. Yan ◽

Wei Liu ◽

Gao L. Zhou ◽

...

Keyword(s):

Mechanical Properties ◽

Thermal Conductivity ◽

First Principles ◽

Pressure Effects ◽

First Principles Study

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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First-principles study of high-pressure structural stability and mechanical properties of Ni2B

Computational Materials Science ◽

10.1016/j.commatsci.2021.110465 ◽

2021 ◽

Vol 194 ◽

pp. 110465

Author(s):

Menglong Wang ◽

Jialing Xie ◽

Keying Xue ◽

Lingxia Li

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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Thermoelectric and mechanical properties of XHfSn (X=Ni, Pd and Pt) semiconducting Half-heusler alloys: A first-principles study

Computational Condensed Matter ◽

10.1016/j.cocom.2021.e00539 ◽

2021 ◽

Vol 26 ◽

pp. e00539

Author(s):

Jonah Nagura ◽

Timothy M. Ashani ◽

Paul O. Adebambo ◽

F. Ayedun ◽

Gboyega A. Adebayo

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study

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First Principles Study of the Stability and Thermal Conductivity of Novel Li-Be Hybrid Ceramics

Acta Materialia ◽

10.1016/j.actamat.2021.117052 ◽

2021 ◽

pp. 117052

Author(s):

G.D. Samolyuk ◽

P.D. Edmondson

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

First Principles Study ◽

The Stability

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Normal compressive strain-induced modulation of electronic and mechanical properties of multilayer MoS2 and Graphene/MoS2 heterostructure: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2019.03.012 ◽

2019 ◽

Vol 111 ◽

pp. 158-166 ◽

Cited By ~ 4

Author(s):

Nayereh Ghobadi

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Compressive Strain ◽

First Principles Study

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Thermal conductivity of magnesium telluride (MgTe) - A first principles study

Solid State Communications ◽

10.1016/j.ssc.2021.114414 ◽

2021 ◽

pp. 114414

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

First Principles Study

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First-principles investigations on vibrational, thermodynamic, mechanical properties and thermal conductivity of L12Al3X (X = Sc, Er, Tm, Yb) intermetallics

Physica Scripta ◽

10.1088/0031-8949/90/6/065701 ◽

2015 ◽

Vol 90 (6) ◽

pp. 065701 ◽

Cited By ~ 9

Author(s):

Xudong Zhang ◽

Wei Jiang

Keyword(s):

Mechanical Properties ◽

Thermal Conductivity ◽

First Principles

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Electronic and mechanical properties of monocrystalline silicon doped with trace content of N or P: A first-principles study

Solid State Sciences ◽

10.1016/j.solidstatesciences.2021.106723 ◽

2021 ◽

Vol 120 ◽

pp. 106723

Author(s):

W.J. Zhang ◽

J.S. Chen ◽

S. Li ◽

Y.H. Wu ◽

P.L. Zhang ◽

...

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Monocrystalline Silicon ◽

First Principles Study ◽

Silicon Doped

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Implication of Mechanical Properties of Li-S Binary Compounds Obtained from the First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c10448 ◽

2021 ◽

Author(s):

Qing Guo ◽

Kah Chun Lau ◽

Ravindra Pandey

Keyword(s):

Mechanical Properties ◽

First Principles ◽

First Principles Study ◽

Binary Compounds

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First-principles study of strain effect on elastic and optical properties and lattice thermal conductivity of Janus ZrBrCl monolayer

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101995 ◽

2021 ◽

Vol 26 ◽

pp. 101995

Author(s):

Min Xiong ◽

Zhi-Yong Chen ◽

Cui-E Hu ◽

Yan Cheng ◽

Hua-Yun Geng

Keyword(s):

Thermal Conductivity ◽

Optical Properties ◽

First Principles ◽

Lattice Thermal Conductivity ◽

Strain Effect ◽

First Principles Study

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