First Principles Enhanced Electronic Band Structure of SrTiO3 using DFT+U Method

Link to publisher's homepage at http://ijneam.unimap.edu.my

Saved in:

Bibliographic Details
Main Authors:	Akeem Adekunle Adewale, Abdullah, Chik
Other Authors:	adewaleakeem12@gmail.com
Format:	Article
Language:	English
Published:	Universiti Malaysia Perlis (UniMAP) 2019
Subjects:	SrTiO3 QE Energy Band Gap Density of State Hubbard-U Parameter DFT DFT+U
Online Access:	http://dspace.unimap.edu.my:80/xmlui/handle/123456789/58785
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

DFT study of thermoelectric performance of SrTiO3 doped by tantalum
by: Akeem Adekunle Adewale, et al.
Published: (2019)

Correlation between the calcination and sintering temperature on phase formation, microstructure and dielectric properties of SrTiO3 ceramics
by: Abdelhalim, Elbasset, et al.
Published: (2022)

First Principles Enhanced Electronic Band Structure of Back Contact in CdTe Solar Cells using DFT+U Method
by: Ahmad N.I., et al.
Published: (2024)

Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations
by: Litimein, F, et al.
Published: (2015)

Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C₃N₄): DFT calculation
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Accounting oxygen vacancy for half-metallicity and magnetism in Fe-doped CeO2 dilute magnetic oxide
by: Saini, Hardev S., et al.
Published: (2014)

Structural and electronic properties of zinc blende B xAl 1-xN yP 1-y quaternary alloys via rst-principle calculations
by: Abdiche, A., et al.
Published: (2012)

Electronic structure, electronic charge density and optical properties analyses of Rb₂Al₂B₂O₇ compound: DFT
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Electronic band structure and specific features of Sm2NiMnO6 compound: DFT calculation
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Effect of cation substitution on electronic band structure of ZnGeAs 2 pnictides: A mBJLDA approach
by: Saini, Hardev S., et al.
Published: (2014)

Structural, electronic and optical properties in earth-abundant photovoltaic absorber of Cu₂ZnSnS₄ and Cu₂ZnSnSe₄ from DFT calculations
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Shift of band gap from direct to indirect and optical response of lif under pressure
by: Sajid, A., et al.
Published: (2014)

Effect of Al doping on Band Gap of hexagonal cross section SiNWs
by: Kausar, Sana, et al.
Published: (2016)

Modeling of structural properties of hexagonal semiconductors
by: Ghassan, E., et al.
Published: (2013)

Modeling of structural properties of hexagonal semiconductors
by: Ghassan E., Arif, et al.
Published: (2014)

Electronic Structure of 1,3-dicarbomethoxy4,6-benzenedicarboxylic acid: Density functional approach
by: Sikander, Azam, et al.
Published: (2014)

Density Functional Theory: A Powerful Tool for Solving the Many Body Problem
by: Ali Hussain Reshak
Published: (2017)

Electronic band structure and optical properties of titanium oxyphosphates Li0.50Co0.25TiO(PO4) single crystals: An ab-initio calculations
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2011)

Clusters of GaAs Prepared by Quantum Mechanical DFT and the Nanowire Raman Spectra
by: Ahmad Nazrul, Rosli,, et al.
Published: (2015)

First principle study of the electronic structure, Fermi surface, electronic charge density and optical properties of ThCu₅In and ThCu₅Sn single crystals
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Condensed Matter Physics
by: Ali Hussain Reshak
Published: (2017)

Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Ab initio calculation of vibrational frequencies of ZnSe and the Raman spectra
by: A.N., Rosli,, et al.
Published: (2015)

Ab Initio Calculation of Vibrational Frequencies of ZnSe and the Raman Spectra
by: Ahmad Nazrul, Rosli,
Published: (2015)

First principle calculations of transition metal oxide, AgAlO2, as active photocatalyst: sustainable alternative sources of energy
by: Ali Hussain, Reshak, Prof. Dr.
Published: (2014)

Theoretical study of the structural, electronic structure, fermi surface, electronic charge density and optical properties of the of LnVO4 (Ln= Sm, Eu, Gd and Dy)
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

A Quantum Approach to Condensed Matter Physics
by: Ali Hussain Resak
Published: (2017)

First-principles study of the electronic structure, charge density, Fermi surface and optical properties of zintl phases compounds Sr2ZnA 2 (A=P, As and Sb)
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Influence of varying Germanium content on the optical function dispersion of Fe 2MnSi xGe 1-x: An ab initio study
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2013)

Structural, chemical bonding, electronic and magnetic properties of KMF₃ (M = Mn, Fe, Co, Ni) compounds
by: Hayatullah, et al.
Published: (2014)

Study of electronic structure, charge density, Fermi energy and optical properties of Cs2KTbCl6 and Cs2KEuCl 6
by: Sikander, Azam, et al.
Published: (2014)

$Electronic structure of quaternary chalcogenide Ag₂In₂Ge(Si)S₆ single crystals and the influence of replacing Ge by Si: Experimental X-ray photoelectron spectroscopy and X-ray diffraction studies and theoretical calculations$

Electronic structure of quaternary chalcogenide Ag₂In₂Ge(Si)S₆ single crystals and the influence of replacing Ge by Si: Experimental X-ray photoelectron spectroscopy and X-ray diffraction studies and theoretical calculations
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
by: Singh, Mukhtiyar P., et al.
Published: (2014)

Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li 0.50Co 0.25TiO(PO4): An ab-initio study
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe₂
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

First-principles study of CH4 and NH3 adsorption on graphene oxide epoxy and graphene oxide hydroxyl
by: MSM, Shukri, et al.
Published: (2021)

DFT calculation for elastic constants of orthorhombic structure within WIEN2K code: A new package (ortho-elastic)
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2014)

On the electronic nature of silicon and germanium based oxynitrides and their related mechanical, optical and vibrational properties as obtained from DFT and DFPT
by: Souraya, Goumri-Said, et al.
Published: (2012)

Optical and photoconductivity spectra of novel Ag 2In 2SiS 6 and Ag 2In 2GeS 6 chalcogenide crystals
by: Chmiel, M., et al.
Published: (2013)

First-principles calculations of structural, elastic, electronic, and optical properties of perovskite-type KMgH3 crystals: Novel hydrogen storage material
by: Ali Hussain, Reshak, Prof. Dr., et al.
Published: (2011)