M. S. Sirajuddeen

发表

A DFT+U study to report magnetic phase transition, electronic properties and half metallic ferromagnetism in palladium oxide using Hubbard method

M. Sundareswari, S. Elavarasi, M. S. Sirajuddeen, 2020 .

Insights on optical and charge density properties of semiconducting chalcopyrites ZnAP2 (A = Si, Ge, Sn) using modified Becke-Johnson potential – A first principles study

I. B. S. Banu, M. S. Sirajuddeen, Ikram Un Nabi Lone, 2021, Computational Condensed Matter.

Effect of Pressure on the Electronic and Magnetic Properties of a Few Mn-Based Half-Metallic Compounds

I. B. S. Banu, M. S. Sirajuddeen, I. Banu, 2014 .

Electronic and Magnetic properties of nitrogen substituted cubic perovskites of RbNbO3 and CsNbO3 using PBE-GGA and TB-mBJ methods

M. S. Sirajuddeen, Syed Rahmathulla S, 2022, Materials Research Innovations.

A DFT study of the structural, elastic, electronic and magnetic properties of new quaternary compounds TiHfOsX(Al,Ga,In)

M. S. Sirajuddeen, N. A. Teli, 2020 .

A first principles study of structural, electronic, elastic, thermal and optical properties of SiZr O3 and GeZr O3

A. Alam, M. S. Sirajuddeen, G. Ajay, 2022, Semiconductor Science and Technology.

Morphology, Dielectric and EMI Shielding Characteristics of Graphene Nanoplatelets, Montmorillonite Nanoclay and Titanium Dioxide Nanoparticles Reinforced Polyvinylidenefluoride Nanocomposites

Kalim Deshmukh, M. Ahamed, M. S. Sirajuddeen, 2021, Journal of Inorganic and Organometallic Polymers and Materials.

FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride

M. S. Sirajuddeen, I. Banu, 2014 .

Effect of hydrostatic pressure and the emergence of half metallic ferromagnetism in rhodium oxide - A DFT+U perspective

M. Sundareswari, S. Elavarasi, M. S. Sirajuddeen, 2019 .

FP-LAPW Calculation of Elastic, Thermal Properties and Chemical Bonding of Heavy REN (RE = Tb-Lu)

M. S. Sirajuddeen, I. Banu, 2013 .

First-principles calculations of the electronic, magnetic and optical properties of rhenium-doped alkaline earth oxides

M. S. Sirajuddeen, N. A. Teli, 2019, Physica Scripta.

A DFT investigation of electronic, elastic, and thermal properties of 3d transition metal carbides –TMC (TM = Sc–Zn)

S. Elavarasi, M. S. Sirajuddeen, Shobana Priyanka D, 2020 .

Effect of Pressure on the Electronic and Magnetic Properties of a Few Mn-Based Half-Metallic Compounds

M. S. Sirajuddeen, I. Banu, 2013, Arabian Journal for Science and Engineering.

First-principles investigation of electronic, magnetic and half-metallic properties in Cr1-xPdxP (x = 0.125, 0.25 and 0.375): A spin flip behavior

M. S. Sirajuddeen, Ikram Un Nabi Lone, 2019, The European Physical Journal Plus.

Half metallic ferromagnetism in gallium and zinc doped chromium phosphide: First principles calculations

M. S. Sirajuddeen, Ikram Un Nabi Lone, 2018 .

First-Principles Study on Electronic, Magnetic, Optical, Mechanical, and Thermodynamic Properties of Semiconducting Gadolinium Phosphide in GGA, GGA+U, mBJ, GGA+SOC and GGA+SOC+U approaches

M. S. Sirajuddeen, Ikram Un Nabi Lone, H. Raza, 2021, Journal of Superconductivity and Novel Magnetism.

Effect of 3d transition metal atoms in SrO to predict half-metallic ferromagnetism: A first principles study

M. S. Sirajuddeen, Nazir Ahmad Teli, 2020 .

The Origin of Half-Metallicity in SrO Doped with Transition Metal Atoms Silver and Gold: a First Principles Calculations

M. S. Sirajuddeen, N. A. Teli, 2020 .

The Origin of Half-Metallicity in SrO Doped with Transition Metal Atoms Silver and Gold: a First Principles Calculations

M. S. Sirajuddeen, N. A. Teli, 2020, Journal of Superconductivity and Novel Magnetism.

Prediction of half-metallicity in strontium oxide doped with hafnium: A GGA+U perspective

M. S. Sirajuddeen, N. A. Teli, 2020 .

Effect of halogens in MgO to predict half-metallic ferromagnetism: By first principles calculations

M. S. Sirajuddeen, Ikram Un Nabi Lone, N. A. Teli, 2020 .

Investigation of half-metallic ferromagnetism in hafnium and tantalum doped NiO for spintronic applications: A DFT study

M. S. Sirajuddeen, N. A. Teli, 2019, Current Applied Physics.

DFT calculations on the ternary MScP, quaternary MSc2P (M = Cu, Zn), and Cu and Zn doped in semiconducting scandium phosphide by GGA and GGA+U approach

M. S. Sirajuddeen, Ikram Un Nabi Lone, N. A. Teli, 2021 .

A comparison study of the structural, electronic and magnetic properties in zinc-blende PtxCr1-xP and RhxCr1-xP (x = 0.125, 0.25), and half-Heusler XCrP (X = Pt, Rh): First principles calculations

S. Rubab, M. S. Sirajuddeen, Ikram Un Nabi Lone, 2019, Materials Chemistry and Physics.

An ab initio study on electronic and magnetic properties of Cr, V doped Cd and Zn nitrides for spintronic applications

M. S. Sirajuddeen, I. Banu, 2016 .

Electronic and magnetic properties of Fe(Mn)-doped Cd and Zn nitrides for spintronic applications: a first-principles study

M. S. Sirajuddeen, I. Banu, 2015, Journal of Materials Science.

Theoretical investigation of structural, electronic, elastic, and optical properties of rubidium-based perovskites RbSrX3 (X = Cl, Br) for optoelectronic device applications – A DFT study

M. S. Sirajuddeen, Ajay G, Ashwin V, 2024, Physica B: Condensed Matter.

Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in perovskite CsBeO3 under the influence of pressure-A DFT perspective

M. S. Sirajuddeen, Aftab Alam, A. Shahjahan, 2024, Chemical Physics Impact.

First-principles investigation of structural, electronic, and optical properties of cubic halide perovskite RbSrI3

M. S. Sirajuddeen, G. Ajay, V. Ashwin, 2023, Chemical Physics Impact.

Novel ternary halide perovskite AMX3(A/M=Li, Na, K, Rb, Be, Mg, Ca, Sr, Ba, X=Br, Cl, F, I) for optoelectronic applications

M. S. Sirajuddeen, V. Ashwin, N.Syed Kaleemullah, 2024, Chemical Physics Impact.

Half-metallic ferromagnetism in Tc and Ag doped MgO: An ab-initio study

M. S. Sirajuddeen, N. A. Teli, M. Mohamed Sheik Sirajuddeen, 2019, Computational Condensed Matter.