Effects of pressure on structural, electronic, optical, and mechanical properties of ZrTe5: A density functional theory study

Physica B Condensed Matter ◽

10.1016/j.physb.2021.413286 ◽

2021 ◽

pp. 413286

Author(s):

Juan Gao ◽

Mi Zhong ◽

Qi-Jun Liu ◽

Bin Tang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Optical And Mechanical Properties

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Periodic Density Functional Theory Study of the Structure, Raman Spectrum, and Mechanical Properties of Schoepite Mineral

Inorganic Chemistry ◽

10.1021/acs.inorgchem.8b00150 ◽

2018 ◽

Vol 57 (8) ◽

pp. 4470-4481 ◽

Cited By ~ 33

Author(s):

Francisco Colmenero ◽

Joaquín Cobos ◽

Vicente Timón

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Raman Spectrum ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of tin and titanium dioxides: Structural and mechanical properties in the tetragonal rutile phase

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2014.05.037 ◽

2014 ◽

Vol 28 ◽

pp. 59-65 ◽

Cited By ~ 3

Author(s):

I. Erdem ◽

H.H. Kart

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Density Functional ◽

Rutile Phase ◽

Density Functional Theory Study ◽

Functional Theory ◽

Titanium Dioxides

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Density functional theory study of epoxy polymer chains adsorbing onto single-walled carbon nanotubes: electronic and mechanical properties

Journal of Molecular Modeling ◽

10.1007/s00894-013-1852-6 ◽

2013 ◽

Vol 19 (8) ◽

pp. 3127-3134 ◽

Cited By ~ 9

Author(s):

Morteza Ghorbanzadeh Ahangari ◽

Abdolhosein Fereidoon ◽

Masoud Darvish Ganji

Keyword(s):

Mechanical Properties ◽

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Epoxy Polymer ◽

Single Walled Carbon Nanotubes ◽

Polymer Chains ◽

Density Functional Theory Study ◽

Functional Theory ◽

Walled Carbon Nanotubes

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Electronic, optical and mechanical properties of lead-free halide double perovskites using first-principles density functional theory

Materials Letters ◽

10.1016/j.matlet.2018.05.082 ◽

2018 ◽

Vol 227 ◽

pp. 289-291 ◽

Cited By ~ 14

Author(s):

N. Rajeev Kumar ◽

R. Radhakrishnan

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Lead Free ◽

Double Perovskites ◽

Functional Theory ◽

Optical And Mechanical Properties

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Mechanical properties of novel forms of graphyne under strain: A density functional theory study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2017.04.001 ◽

2017 ◽

Vol 90 ◽

pp. 189-193 ◽

Cited By ~ 14

Author(s):

Roya Majidi

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Surface modification of carbon nanotubes using 3-aminopropyltriethoxysilane to improve mechanical properties of nanocomposite based polymer matrix: Experimental and Density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2017.05.148 ◽

2017 ◽

Vol 420 ◽

pp. 167-179 ◽

Cited By ~ 22

Author(s):

A. Hamed Mashhadzadeh ◽

Ab. Fereidoon ◽

M. Ghorbanzadeh Ahangari

Keyword(s):

Mechanical Properties ◽

Carbon Nanotubes ◽

Density Functional Theory ◽

Surface Modification ◽

Polymer Matrix ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Optical, electronic, and mechanical properties of p-type conductive oxide BaBiO3: A density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2020.138054 ◽

2020 ◽

Vol 761 ◽

pp. 138054

Author(s):

Juan Gao ◽

Wei Zeng ◽

Bin Tang ◽

Mi Zhong ◽

Qi-Jun Liu

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Conductive Oxide ◽

P Type

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Stability and mechanical properties of various Hf–H phases: A density-functional theory study

Chinese Physics B ◽

10.1088/1674-1056/26/10/106103 ◽

2017 ◽

Vol 26 (10) ◽

pp. 106103

Author(s):

Wei Xiao ◽

Lu Sun ◽

Shu-Hui Huang ◽

Jian-Wei Wang ◽

Lei Cheng ◽

...

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Mechanical Properties and Interlayer Interactions of Multi-layer Graphene: Carbonic, Silicon-Carbide and Silicene Graphene-like Structures

Silicon ◽

10.1007/s12633-018-9885-1 ◽

2018 ◽

Vol 11 (3) ◽

pp. 1235-1246 ◽

Cited By ~ 7

Author(s):

Morteza Ghorbanzadeh Ahangari ◽

Azam Salmankhani ◽

Amir Hossein Imani ◽

Navid Shahab ◽

Amin Hamed Mashhadzadeh

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Silicon Carbide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Layer Graphene

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A Density Functional Theory Study of the Mechanical Properties of Graphane With van der Waals Corrections

Mechanics of Advanced Materials and Structures ◽

10.1080/15376494.2013.839067 ◽

2015 ◽

Vol 22 (9) ◽

pp. 717-721 ◽

Cited By ~ 18

Author(s):

Qing Peng ◽

Zhongfang Chen ◽

Suvranu De

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Density Functional ◽

Van Der Waals ◽

Density Functional Theory Study ◽

Functional Theory

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