g-TlN; Mechanical Properties; High Order Elastic Constants; Density Functional Theory; 2D Materials - Articles

A First Principles Investigation of the Mechanical Properties of g-TlN (Articles)

Qing Peng, Chao Liang, Wei Ji, Suvranu De

Modeling and Numerical Simulation of Material Science Vol.2 No.4，October 22, 2012

DOI: 10.4236/mnsms.2012.24009 5,783 Downloads 13,064 Views Citations
Effect of Exchange-Correlation Functional on the Structural, Mechanical, and Optoelectronic Properties of Orthorhombic RbSrBr₃ Perovskite (Articles)

Fatema Najrin, Rabeya Bakar Sarna, Md. Alamin Sarker, Budrun Neher, Md. Mahbubur Rahman Bhuiyan, Farid Ahmed

Materials Sciences and Applications Vol.15 No.6，June 28, 2024

DOI: 10.4236/msa.2024.156010 88 Downloads 382 Views Citations
Elastic Constants and Pressure Derivatives of Calcium Oxide (Articles)

Krishna Murti Raju

Open Access Library Journal Vol.1 No.7，October 27, 2014

DOI: 10.4236/oalib.1100648 1,699 Downloads 2,303 Views Citations
First Principles Investigation of the Structure and Properties of Superconducting Cubic Protactinium Hydride PaH₃ (Articles)

Tao Liu, Tao Gao

Journal of Applied Mathematics and Physics Vol.11 No.4，April 28, 2023

DOI: 10.4236/jamp.2023.114073 144 Downloads 461 Views Citations
A Quantum Chemical Screening of Two Imidazole-Chalcone Hybrid Ligands and Their Pd, Pt and Zn Complexes for Charge Transport and Nonlinear Optical (NLO) Properties: A DFT Study (Articles)

Fritzgerald Kogge Bine, Numbonui Stanley Tasheh, Julius Numbonui Ghogomu

Computational Chemistry Vol.9 No.4，October 19, 2021

DOI: 10.4236/cc.2021.94012 348 Downloads 1,166 Views Citations
Electronic and Optical Properties of Rocksalt CdO: A first-Principles Density-Functional Theory Study (Articles)

Gang Yao, Xinyou An, Hongwen Lei, Yajun Fu, Weidong Wu

Modeling and Numerical Simulation of Material Science Vol.3 No.1B，January 21, 2013

DOI: 10.4236/mnsms.2013.31B005 4,570 Downloads 8,338 Views Citations
Accurate Electronic, Transport, and Related Properties of Wurtzite Beryllium Oxide (w-BeO) (Articles)

Cheick Oumar Bamba, Richard Inakpenu, Yacouba I. Diakite, Lashounda Franklin, Yuriy Malozovsky, Anthony D. Stewart, Diola Bagayoko

Journal of Modern Physics Vol.8 No.12，November 17, 2017

DOI: 10.4236/jmp.2017.812116 1,180 Downloads 2,367 Views Citations
Accurate, First-Principle Study of Electronic and Related Properties of the Ground State of Li₂Se (Articles)

Abdoulaye Goita, Feng Gao, Ifeanyi H. Nwigboji, Yuriy Malozovsky, Lashounda Franklin, Diola Bagayoko

Journal of Modern Physics Vol.10 No.8，July 9, 2019

DOI: 10.4236/jmp.2019.108060 751 Downloads 1,388 Views Citations
This article belongs to the Special Issue on Density Functional Theory
Mechanical and superconducting properties of nanosize MgO added dip-coated Bi₂Sr₂CaCu₂O₈ superconducting tape (Articles)

Nasri A Hamid, Mohd Yusri Abd Rahman, Noor Fairuz Shamsudin

Natural Science Vol.3 No.6，June 22, 2011

DOI: 10.4236/ns.2011.36067 4,936 Downloads 9,192 Views Citations
The Pursuit of Fallacy in Density Functional Theory: The Quest for Exchange and Correlation, the Rigorous Treatment of Exchange in the Kohn-Sham Formalism and the Continuing Search for Correlation (Articles)

A. Gonis

World Journal of Condensed Matter Physics Vol.4 No.3，August 29, 2014

DOI: 10.4236/wjcmp.2014.43023 2,765 Downloads 4,599 Views Citations
First Principle Study of the Structural and Piezoelectric Properties of Perovskite ZrTi(PbO₃)₂ Materials for Naval SONAR (Articles)

Owolabi Joshua Adeyemi, Gidado Mohammed Mawashi, Alhassan Shuaibu, Bamikole Johnson Akinade, Ugbe Raphael Ushiekpan

Journal of Applied Mathematics and Physics Vol.7 No.2，February 14, 2019

DOI: 10.4236/jamp.2019.72022 1,784 Downloads 2,987 Views Citations
Mechanical, Thermal and Crystallization Properties of Polypropylene (PP) Reinforced Composites with High Density Polyethylene (HDPE) as Matrix (Articles)

Harekrushna Sutar, Prakash Chandra Sahoo, Prateekshya Suman Sahu, Surajabala Sahoo, Rabiranjan Murmu, Sumit Swain, Subash Chandra Mishra

Materials Sciences and Applications Vol.9 No.5，May 24, 2018

DOI: 10.4236/msa.2018.95035 2,474 Downloads 6,212 Views Citations
Investigation for the Response of High Strength Steel 42CrMo4 to in-situ Hydrogen Loading through Tensile Testing (Articles)

Omar Marena

Open Access Library Journal Vol.10 No.9，September 27, 2023

DOI: 10.4236/oalib.1110660 83 Downloads 500 Views Citations
First Principles Study of the Structural and Electronic Properties of the ZnO/Cu₂O Heterojunction (Articles)

Mabrouk Zemzemi, Sahbi Alaya

Materials Sciences and Applications Vol.6 No.7，July 16, 2015

DOI: 10.4236/msa.2015.67068 4,459 Downloads 6,500 Views Citations
Accurate Electronic, Transport, and Bulk Properties of Zinc Blende Gallium Arsenide (Zb-GaAs) (Articles)

Yacouba Issa Diakite, Sibiri D. Traore, Yuriy Malozovsky, Bethuel Khamala, Lashounda Franklin, Diola Bagayoko

Journal of Modern Physics Vol.8 No.4，March 20, 2017

DOI: 10.4236/jmp.2017.84035 1,680 Downloads 3,116 Views Citations
Ab-Initio Self-Consistent Density Functional Theory Description of Rock-Salt Magnesium Selenide (MgSe) (Articles)

Blaise Awola Ayirizia, Yuriy Malozovsky, Lashounda Franklin, Uttam Bhandari, Diola Bagayoko

Materials Sciences and Applications Vol.11 No.7，June 30, 2020

DOI: 10.4236/msa.2020.117027 681 Downloads 1,722 Views Citations
The Effects of Oxidation States and Spin States of Chromium Interaction with Sargassum Sp.: A Spectroscopic and Density Functional Theoretical Study (Articles)

Mohammad Abdul Matin, Md. Aftab Ali Shaikh, Md. Anwar Hossain, Md. Alauddin, Tapas Debnath, Mohammed Abdul Aziz

Green and Sustainable Chemistry Vol.11 No.4，November 17, 2021

DOI: 10.4236/gsc.2021.114011 331 Downloads 1,682 Views Citations
Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations (Articles)

Ziran Chen, Yujin Zhang, Zhanrong He, Yonghua Guan, Yuan Li, Hongping Li

Computational Chemistry Vol.8 No.4，October 30, 2020

DOI: 10.4236/cc.2020.84005 489 Downloads 1,413 Views Citations
Propagation of Acoustic Wave inside the Carbon Nanotube: Comparative Study with Other Hexagonal Material (Articles)

Sanjay Srivastava

Open Journal of Acoustics Vol.3 No.3，September 9, 2013

DOI: 10.4236/oja.2013.33009 6,063 Downloads 8,554 Views Citations
Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]^3- (M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study (Articles)

Mohammad A. Matin, Md. Abdur Rahman

Advances in Chemical Engineering and Science Vol.9 No.4，October 9, 2019

DOI: 10.4236/aces.2019.94023 712 Downloads 2,142 Views Citations

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