β-FeSi2; First Principle Calculation; Electronic Structure - Articles

First Principle Study on the Electric Structure of β-FeSi₂ with Native Point Defects (Articles)

L.P. Peng, A.L. He

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

DOI: 10.4236/mnsms.2013.31B004 3,200 Downloads 5,567 Views Citations
Starting Point of Cluster-Derived Silicon Nanowires (Articles)

Aijiang Lu

Journal of Modern Physics Vol.4 No.4, April 24, 2013

DOI: 10.4236/jmp.2013.44071 5,692 Downloads 8,026 Views Citations
First-Principles Investigation of Energetics and Electronic Structures of Ni and Sc Co-Doped MgH₂ (Articles)

Gaili Sun, Yuanyuan Li, Xinxin Zhao, Yiming Mi, Lili Wang

American Journal of Analytical Chemistry Vol.7 No.1, January 22, 2016

DOI: 10.4236/ajac.2016.71004 4,561 Downloads 6,110 Views Citations
The Effect on the Electric Structure and Optical Properties of Ca₂Ge Bulk with Sr-Doping (Articles)

Yingjian Wei, Yinye Yang, Weifu Cen, Ruijie Li, Lin Lv

Journal of Materials Science and Chemical Engineering Vol.4 No.11, November 30, 2016

DOI: 10.4236/msce.2016.411003 1,850 Downloads 3,099 Views Citations
First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube (Articles)

Wenyu Wang, Jiangang Xu, Yunguang Zhang, Guixia Li

Computational Chemistry Vol.5 No.4, October 27, 2017

DOI: 10.4236/cc.2017.54013 1,846 Downloads 4,222 Views Citations
First-Principle Studies on the Ga and As Doping of Germanane Monolayer (Articles)

Lei Liu, Yanju Ji, Yifan Liu, Liqiang Liu

Journal of Applied Mathematics and Physics Vol.7 No.1, January 11, 2019

DOI: 10.4236/jamp.2019.71005 999 Downloads 2,345 Views Citations
First-Principles Investigation of the Effect of M-Doped (M = Zr, Hf) TiCoSb Half-Heusler Thermoelectric Material (Articles)

Gaili Sun, Yuanyuan Li, Xinxin Zhao, Yiming Mi, Lili Wang

Journal of Materials Science and Chemical Engineering Vol.3 No.12, December 29, 2015

DOI: 10.4236/msce.2015.312012 4,002 Downloads 5,924 Views Citations
Electronic Structure and Spectroscopic Studies of the Molecule ScS (Articles)

Rawad Halabi, Mahmoud Korek

Journal of Modern Physics Vol.6 No.5, April 9, 2015

DOI: 10.4236/jmp.2015.65059 3,337 Downloads 4,618 Views Citations
Theoretical Calculation of the Low-Lying Electronic States of the Molecule BaS (Articles)

Sally Shawa, Mahmoud Korek, Ghassan Younes, Nayla El-Kork

Journal of Modern Physics Vol.6 No.5, April 16, 2015

DOI: 10.4236/jmp.2015.65066 3,651 Downloads 4,995 Views Citations
Electronic and Optical Properties of Rare Earth Oxides: Ab Initio Calculation (Articles)

Sezen Horoz, Sevket Simsek, Selami Palaz, Amirullah M. Mamedov

World Journal of Condensed Matter Physics Vol.5 No.2, May 29, 2015

DOI: 10.4236/wjcmp.2015.52011 4,014 Downloads 6,042 Views Citations
Theoretical Study of the Triplet Electronic States of the BP Molecule (Articles)

Mahdi Mansour, Nayla El-Kork, Mahmoud Korek

Journal of Modern Physics Vol.6 No.8, July 28, 2015

DOI: 10.4236/jmp.2015.68119 3,058 Downloads 4,355 Views Citations
Ab-Initio Calculations of 27 Electronic States of the BP⁺ Ion-Molecule (Articles)

Mahdi Mansour, Nayla El-Kork, Mahmoud Korek

Journal of Modern Physics Vol.6 No.13, October 19, 2015

DOI: 10.4236/jmp.2015.613180 3,023 Downloads 4,056 Views Citations
Theoretical Calculation of the Low-Lying Electronic States of the Molecule ScSe (Articles)

Rawad Halabi, Mahmoud Korek

Journal of Modern Physics Vol.6 No.15, December 31, 2015

DOI: 10.4236/jmp.2015.615233 2,516 Downloads 3,458 Views Citations
Ab Initio Calculation of the Electronic States of ScTe Molecule below 19,500 cm^-1 (Articles)

Rawad Halabi, Mahmoud Korek

Journal of Modern Physics Vol.7 No.1, January 22, 2016

DOI: 10.4236/jmp.2016.71010 2,913 Downloads 3,965 Views Citations
First Principles Calculation of Magnetic Resonance Properties of Cu_2-δX (X = Se, S, Te) (Articles)

Zhipeng Shao, Chenglong Shi

Journal of Applied Mathematics and Physics Vol.9 No.6, June 17, 2021

DOI: 10.4236/jamp.2021.96085 523 Downloads 1,730 Views Citations
Elastic Stability and Multifunctional Properties of Wurtzite Aluminum Nitride from First Principles (Articles)

Mobisa Kemuma Deborah, Calford Odhiambo Otieno, Ketui Daniel, Otieno Ochieng Victor

Open Journal of Microphysics Vol.16 No.1, March 26, 2026

DOI: 10.4236/ojm.2026.161001 63 Downloads 381 Views Citations
Simulation of Graphene Piezoresistivity Based on Density Functional Calculations (Articles)

Mohammed Gamil, Koichi Nakamura, Ahmed M. R. Fath El-Bab, Osamu Tabata, Ahmed Abd El-Moneim

Modeling and Numerical Simulation of Material Science Vol.3 No.4, October 7, 2013

DOI: 10.4236/mnsms.2013.34016 5,307 Downloads 8,697 Views Citations
First-Principles Calculations of the Structural, Mechanical and Thermodynamics Properties of Cubic Zirconia (Articles)

Ibrahim D. Muhammad, Mokhtar Awang, Othman Mamat, Zilati Bt Shaari

World Journal of Nano Science and Engineering Vol.4 No.2, June 24, 2014

DOI: 10.4236/wjnse.2014.42013 5,322 Downloads 8,659 Views Citations
Atom’s Nuclear Structure and the Periodic Table of the Chemical Elements (Articles)

Faustino Menegus

World Journal of Nuclear Science and Technology Vol.9 No.3, July 16, 2019

DOI: 10.4236/wjnst.2019.93010 1,102 Downloads 2,674 Views Citations
Nucleus Directs the Electronic Structure of the Atom (Articles)

Faustino Menegus

World Journal of Nuclear Science and Technology Vol.10 No.2, March 23, 2020

DOI: 10.4236/wjnst.2020.102009 1,043 Downloads 2,456 Views Citations

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