Dr. M.Mohamed Sheik Sirajuddeen-Physics

DEPARTMENT OF PHYSICS

Dr. M.Mohamed Sheik Sirajuddeen

Designation	:	Associate Professor
Nature of Employment	:	Regular
Date of Joining	:	12.07.2010
Qualification	:	M.Sc.,M.Phil.,Ph.D
Phone	:	044- 22751347(Office), 919940216965
Email ID	:	msheiksiraj@crescent.education

Education

Programme	Discipline	Year of Passing	University
Ph.D	Physics	2016	Anna University, Chennai
M.Phil.	Physics	2006	Manonmaniam Sundranar University, Tirunelveli
M.Sc.	Physics	1998	Jamal Mohamed College, Bharathidasan University, Trichy
B.Sc.	Physics	1996	The New College, Madras University

Additional Qualifications

Title of Course/certification	Certifying Agency/body	Year of Passing
Nuclear Security for Scientists Technologists Engineers (Certified Nuclear Security Specialized Professional)	World Institute for Nuclear Security, Vienna, Austria	2025
Physics of renewable energy systems	NPTEL – IIT Madras	2025
Computational Quantum Chemistry	NPTEL – IIT Bombay	2025
Artificial Intelligence and Machine Learning in Materials Science Engineering	NPTEL – IIT Madras	2024
Teaching and Learning in Engineering (TALE)	NPTEL Course- IISc., Bangalore	2024
Introduction to Radiation Sources and applications	IAEA (UN)	2023
Radiation Basics and Consequences of Exposure to Radiation	IAEA(UN)	2022
Categorization of Radioactive Material	IAEA(UN)	2022
Overview of Nuclear Security Threats and Risks	IAEA(UN)	2022
Radiological Crime Scene Management	IAEA(UN)	2022
Physical Protection	IAEA(UN)	2022
Information on Computer Security	IAEA(UN)	2022
International Legal Framework for Nuclear Security	IAEA(UN)	2022
Security of Nuclear Information	IAEA(UN)	2022
Fundamentals of Nuclear Power Generation (12 week course-equivalent to 1½ FDP)	NPTEL – IIT Guwahati	2022
AICTE-UHV-II-CERTIFICATION	AICTE, New Delhi	2022
AICTE-UHV-I-SIP-CERTIFICATION	AICTE, New Delhi	2022
Red hat Certified System Administrator in Linux-based systems	Red Hat Inc.	2019
ISO 9000-2015 certified Internal Auditor	TUV SUD, South Asia Ltd.,	2017
Certified Online-offshore faculty	Tutorvista Inc.	2007

Teaching Experience

Designation	Employer	Period
Lecturer	C.Abdul Hakeem college of Engineering & Technology, Melvisharam	From July 2002 – Sept. 2004
Assistant Professor & HOD	Dhaanish Ahmed college of engineering, Chennai.	From Oct 2004 – June 2010
Assistant Professor	B.S. Abdur Rahman Crescent Institute of Science and Technology, Chennai	From July 2010 to June 2012
Assistant Professor(Sr.Gr.)	B.S. Abdur Rahman Crescent Institute of Science and Technology, Chennai	From July 2012 to July 2019
Assistant Professor (Selection Grade)	B.S. Abdur Rahman Crescent Institute of Science and Technology, Chennai	From Aug 2019 – August 2022
Associate Professor	B.S. Abdur Rahman Crescent Institute of Science and Technology, Chennai	August 2022 – till date

Additional Responsibilities

Board of Studies Member
Class Advisor
DAAC Member
Stock Verification Committee Member
NPTEL Coordinator
NAAC Coordinator (Dept.)

Areas of Expertise

Theoretical Nuclear Science (Certification in Nuclear Security)
Condensed Matter Physics
Materials Characteristics, simulation and modelling

Date of joining at BSAIST: 12-07-2010 Total Teaching Experience: 21 Years

Research

Area of Research Interest:

Computational Materials Science
Materials simulation, modelling and Characteristics
Band structure calculations using Density Functional Theory(DFT).

Research Guidance:

Programme	University in which registered	Completed	Ongoing
Ph.D.	B.S.A.C.I.S.T	3	5
M.Sc. Physics	B.S.A.C.I.S.T	16	1
M.Phil. Physics	Madurai Kamaraj University	1	–

International Visits

Participated on invitation in the Global Nuclear Advocacy programme organized by the International Centre for Theoretical Physics(ICTP) at Trieste, Italy – “Increasing dangers of Nuclear weapons: How physicists can reduce the threat” during 22 October – 25 October 2023
Follow up activity after my visit to ICTP, Italy:
As a follow up of my visit to ICTP, Trieste, Italy, an open elective course with 5 modules was developed, under the Supervision of Dr.Juergen Altmann, Dortmund University, Germany and Dr. Stewart Prager, Princeton University, USA, to educate students on the dangers of nuclear weapons and their global threat. The course not only highlights the impact of nuclear weapons but also highlights the significant efforts by the United Nations towards arms control and global nuclear weapons reduction. Click on the link to explore the course: https://disarmamentcourses.github.io/

Sl.No.	Awards & Achievements
1.	Received scholarship from World Institute for Nuclear Security, Vienna, Austria for undergoing a course on nuclear security. Completed and Passed in November 2025.
2.	Received sponsors from ICTP, Italy to participate in Global Nuclear Advocacy Programme in 2023.
3.	Received International Travel Grant from CSIR, New Delhi in 2023
4.	Recipient of Excellent Teaching Award presented by Our Honourable Vice chancellor in 2019
5	Reviewer in major research journals such as Journal of materials science, Journal of materials design and applications, Journal of Alloys and compounds, Canadian journal of P hysics published by Elsevier and Springer
6.	Member of Editorial Board in Journal of Electronic research application (2017-2020)
7.	Acted as member of Jury in the International Conference held at Bannari Amman Institute of Technology, Sathyamangalam, TN in Dec. 2019.
8.	Received appreciations for carrying out research in the field of Physics for the year 2015, 2016, 2017, 2018, 2019, 2020, 2021
9.	Received best paper award (oral presentation) in a conference held in Anna University during 2011.

Research Publications

Year	Authors	Title	Journal Name	Volume/ Page No.	Impact factor
2025	G. Ajay, V. Ashwin, M. Mohamed Sheik Sirajuddeen	DFT-based investigation on novel lead-free inorganic cubic halide double perovskite Cs2LiInX6 (X = Br and I) for energy harvesting device applications	Computational Condensed Matter, Elsevier	e01155, https://doi.org/10.1016/j.cocom.2025.e01	3.9
2025	M Mohammed Shoaib Hussain, S Beer Mohamed, M Mohamed Sheik Sirajuddeen	Pressure induced DFT study on structural, electronic, optical, and thermodynamic properties of lead free InXF3 (X= Sr and Ba) for optoelectronic applications	Computational Condensed Matter, Elsevier	Vol. 44, e01077	3.9
2025	V. Ashwin and K. Ravichandran G. Ajay, M. Mohamed Sheik Sirajuddeen*, Sakthivel Pandurengan	Investigation of the structural, electronic, and magnetic properties of NiSe in cubic phase by incorporating Hubbard U corrections: a DFT + U study	Discover Applied Sciences, Springer Nature	https://doi.org/10.1007/s42452-025-07547	2.8,Q2
2025	A. Sutha, M. Mohammed Sheik Sirajudeen, R. Rajesh and I. B. Shameem Banu	Electron density analysis of Bi0. 95Ca0. 05Fe1-xNbxO3 (x= 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties	Discover Applied Sciences, Springer Nature	Vol.7, Page 344	2.8,Q2
2024	M. Mohamed Sheik Sirajuddeen* N. Syed Kaleemullah, S. Beer Mohamed, Praveen Ramakrishnan, V. Ashwin	Study of optical responsivity and electronic properties of ternary halide perovskite semiconductors – CaKI3 and CaRbI3 for optoelectronic applications – A DFT approach	Computational Condensed Matter Elsevier	40 e00939	2.6
2024	G Ajay, V Ashwin, M.Md.Sheik Sirajuddeen, A Alam –	Theoretical investigation of structural, electronic, elastic, and optical properties of rubidium-based perovskites RbSrX₃ (X = Cl, Br) for optoelectronic device applications – A DFT study	Physica B: Condensed Matter, 2024	682 415858	2.8
2024	V Ashwin and M Mohamed Sheik Sirajuddeen	Thermoelectric, mechanical, and pressure sustained half-metallic properties of BaInO₃ perovskite for spintronics applications: DFT computation,	Journal of Physics D: Applied Physics,	Volume 57, Number 23, 235002	3.4
2024	M. Mohamed Sheik Sirajuddeen, Aftab Alam, A. Shahjahan, E. Manikandan	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,	Chemical Physics Impact	Volume 8, June 2024, 100553	2.2
2024	G Ajay, M Mohamed Sheik Sirajuddeen, V Ashwin,	First-principles investigation of structural, electronic, and optical properties of cubic halide perovskite RbSrI₃,	Chemical Physics Impact	Volume 8, June 2024, 100431,	2.2
2024	Ajay G, Ashwin V , M. Mohamed Sheik Sirajuddeen, Aftab Alam	Theoretical investigation of structural, electronic, elastic, and optical properties of rubidium- based perovskites RbSrX₃ (X = Cl, Br) for optoelectronic device applications – A DFT study,	Physical B, Conds.Matter.	Volume 682, 1 June 2024, 415858.	2.8
2024	N.Syed Kaleemullah, M.Shoaib Hussain, V. Ashwin, G. Ajay, M.Mohammed Sheik Sirajuddeen,	Novel ternary halide perovskite AMX₃(A/M=Li, Na, K, Rb, Be, Mg, Ca, Sr, Ba, X=Br, Cl, F, I) for optoelectronic applications,	Chemical Physics Impact	Volume 8, June 2024, 100545	2.2
2024	Nazir Ahmad Teli, Showkat Hassan Mir, M Mohamed Sheik Sirajuddeen and I B Shameem Banu^,	A computational study of TiHfPtZ (Z = Al, Ga, In) quaternary heusler compounds for spintronics applications,	Physica. Scripta	99 025974	2.9
2023	G Ajay, Aftab Alam, M Mohamed Sheik Sirajuddeen	A first principles study of structural, electronic, elastic, thermal and optical properties of perovskite semiconductors SiZrO₃ and GeZrO₃	Semiconductor Science and Technology, IOP Publishing	38, 015010	2.35
2023	V.Ashwin, Mohamed Sheik Sirajuddeen	DFT insights into the origin of d⁰ferromagnetism, mechanical stability, elastic, and acoustic anisotropy in AZrO₃(A= K, rb, Cs) cubic perovskites https://doi.org/10.1016/j.physb.2022.414521.	Physica B:Condensed Matter, Elsevier, Netherlands	414521, ISSN 0921-4526,	2.98
2022	M. MohamedSheik Sirajuddeen,S.Beer Mohamed,N.Hajara Beevi,V.Ashwin, andIkram Un Nabilone	Spin resolved-Electronic, Magnetic and Thermodynamic properties of perovskites XTiO₃ (X= Rb, Cs) using GGA, TB-mBJ and GGA+U Potentials -A DFT approach	Canadian Journal of Physics	08,4204	1.323
2022	Syed Rahmathulla, M.Mohamed Sheik Sirajuddeen	Electronic and Magnetic properties of nitrogen substituted cubic perovskites of RbNbO₃ and CsNbO₃ using PBE-GGA and TB-mBJ methods	Materials Research Innovations, Taylor and Francis Publishers UK	·https://doi.org/10.1080/ 14328917.2022.2088920	1.46
2022	D.Shobana Priyanka,M.Mohamed Sheik Sirajuddeen,Srinivasan M, .P.Ramasamy	Spin polarized study of alkaline earth-cubic lead perovskites (PbXO₃, X=Mg, Ca & Sr) for emerging spintronic technology	Journal of Crystal Growth	590/ 126699	1.797
2021	S.R.Thahirunnisa I.B.Shameem Banu,M.Mohamed Sheik Sirajuddeen,Ikram Un NabiLone	Insights on optical and charge density properties of semiconducting chalcopyrites ZnAP₂(A = Si, Ge, Sn) using modified Becke-Johnson potential – A first principles study	Computational condensed matter	29, e006
2022	G Ajay, Aftab Alam, M Mohamed Sheik Sirajuddeen	A first principles study of structural, electronic, elastic, thermal and optical properties of perovskite semiconductors SiZrO₃ and GeZrO₃	Semiconductor Science and Technology, IOP Publishing	38, 015010	2.35
2022	V.Ashwin, Mohamed Sheik Sirajuddeen	DFT insights into the origin of d⁰ ferromagnetism, mechanical stability, elastic, and acoustic anisotropy in AZrO₃ (A= K, rb, Cs) cubic perovskites https://doi.org/10.1016/j.physb.2022.414521.	Physica B:Condensed Matter, Elsevier, Netherlands	414521, ISSN 0921-4526,	2.98
2022	M. Mohamed Sheik Sirajuddeen, S. Beer Mohamed, N. Hajara Beevi, V. Ashwin, and Ikram Un Nabi lone	Spin resolved-Electronic, Magnetic and Thermodynamic properties of perovskites XTiO3 (X= Rb, Cs) using GGA, TB-mBJ and GGA+U Potentials -A DFT approach	Canadian Journal of Physics	08,4204	1.323
2022	Syed Rahmathulla, M.Mohamed Sheik Sirajuddeen	Electronic and Magnetic properties of nitrogen substituted cubic perovskites of RbNbO₃ and CsNbO₃ using PBE-GGA and TB-mBJ methods	Materials Research Innovations, Taylor and Francis Publishers UK	· https://doi.org/10.1080/ 14328917.2022.2088920	1.46
2022	D.Shobana Priyanka, M.Mohamed Sheik Sirajuddeen, Srinivasan M, .P.Ramasamy	Spin polarized study of alkaline earth-cubic lead perovskites (PbXO₃, X = Mg, Ca & Sr) for emerging spintronic technology	Journal of Crystal Growth	590/ 126699	1.797
2021	S.R.Thahirunnisa I.B.Shameem Banu, M.Mohamed Sheik Sirajuddeen, Ikram Un NabiLone	Insights on optical and charge density properties of semiconducting chalcopyrites ZnAP₂ (A = Si, Ge, Sn) using modified Becke-Johnson potential – A first principles study	Computational condensed matter	29, e00601	1.79
2021	Ikram Un NabiLone, M Mohamed Sheik Sirajuddeen, Nazir AhmadTeli, Hafiz HamidRaza,SaubiaKhalid, RaheelHammad	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	Vacuum	Volume 191, September 2021, 110328	2.90
2021	Ikram UnNabi Lone, M. MohamedSheik Sirajuddeen, S.B.Mohamed, SaubiaKhalid	A density functional calculations on electronic, magnetic, optical, mechanical and half-metallic properties in molybdenum based pnictogens in GGA and GGA+U approach	Materials chemistry and Physics	· Vol. 260, 15, 124159	3.40
2021	AH kumar, M.B.Ahamed, , Kalim Deshmukh, M.Md.Sheik Sirajuddeen	Morphology, dielectric and emi shielding characteristics of graphene nanoplatelets, montmorillonite nanoclay and titanium dioxide nanoparticles reinforced polyvinylidenefluoride nanocomposites	Journal of Inorganic and Organometallic Polymers and Materials	· 31,2003-2016	1.94
2021	Ikram Un Nabi Lone, M.Md.Sheik Sirajuddeen, Saubia Khalid and Hafiz hamid raza	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	Journal of Superconductivity and Novel Magnetism	· 303
2020	V.Ashwin, M.Md.Sheik Sirajuddeen,M.Basheer ahamed, S.Begam Elavarasi	Structural, electronic, magnetic and half-metallic properties of cubic perovskites NaBeO₃and KBeO₃using PBE-GGA and TB-mBJ approach: A DFT perspective	Applied Physics Avolume126, Articlenumber:880	1-11	1.80
2020	NA Teli, MMS Sirajuddeen	A DFT study of the structural, elastic, electronic and magnetic properties of new quaternary compounds TiHfOsX (Al, Ga, In)	Physics Letters A	384 (32), 126793	2.27
2020	S Priyanka, MMS Sirajuddeen, SB Elavarasi	A DFT investigation of electronic, elastic, and thermal properties of 3d transition metal carbides–TMC (TM= Sc–Zn) ,	Computational Condensed Matter	e00500	1.7 citescore
2020	NA Teli, M Sirajuddeen, M Sheik	The Origin of Half-Metallicity in SrO Doped with Transition Metal Atoms Silver and Gold: a First Principles Calculations	Journal of superconductivity and novel magnetism	33, 2795–2800	1.244
2020	NA Teli, MMS Sirajuddeen	Effect of 3d transition metal atoms in SrO to predict half-metallic ferromagnetism: A first principles study ,	Journal of Magnetism and Magnetic Materials	511, 166829	2.71
2020	NA Teli, MMS Sirajuddeen	Prediction of half-metallicity in strontium oxide doped with hafnium: A GGA+ U perspective	Materials Today: Proceedings	https://doi.org/10.1016/ j.matpr.2020.02.740	–
2020	SB Elavarasi, S Divya, MV Priya, M.S Sirajuddeen	NMR, magnetic and electronic investigations of fluorinated nanotubes with different coverage of fluorine	Chemical Physics Letters	742, 137142	2.02
2020	IUN Lone, MMS Sirajuddeen	Investigation of structural, electronic, magnetic and half-metallic properties in ternary zinc blende CrMoO and ScMoO by GGA and GGA+ U method: First principles study	Journal of Molecular Graphics and Modelling	95, 107490	2.079
2020	SS Rahmathulla, MMS Sirajuddeen	Nitrogen induced half metallic ferromagnetism in oxides of calcium and cadmium: A DFT perspective	Materials Chemistry and Physics	243, 122336	3.4
2020	M Mohamed Sheik Sirajuddeen, M Sundareswari, I Raja Mohamed, S Begam Elavarasi, Ikram Nabi Lone, Nazir ahmed Teli, S Syed Rahmathulla, Mohammed Shoaib Hussain	A DFT+ U study to report magnetic phase transition, electronic properties and half metallic ferromagnetism in palladium oxide using Hubbard method	Materials Chemistry and Physics	241, 122263	3.4
2020	N Gopinathan, SS Basha, IBS Banu, MH Mamat, MMS Sirajudeen	Solvents driven structural, morphological, optical and dielectric properties of lead free perovskite CH3NH3SnCl3 for optoelectronic applications: experimental and DFT study	Materials Research Express	6 (12), 125921	1.929
2020	NA Teli, MMS Sirajuddeen, IUN Lone	Effect of halogens in MgO to predict half-metallic ferromagnetism: By first principles calculations	Solid State Sciences	99, 106048	2.434
2019	MMS Sirajuddeen, M Sundareswari, IR Mohamed, SB Elavarasi,	Effect of hydrostatic pressure and the emergence of half metallic ferromagnetism in rhodium oxide-A DFT+ U perspective …	Computational Condensed Matter	21, e00425	1.7 citescore
2019	Nazir Ahmad Teli, M.Md.Sheik Sirajuddeen	First-principles calculations of the electronic, magnetic and optical properties of Rhenium doped alkaline earth oxides	Physica Scripta, IOP, publishing, UK,	95,2, 025801	1.98
2019	Nazir Ahmad Teli, M.Md.Sheik Sirajuddeen	Half-metallic ferromagnetism in Tc and Ag doped MgO: An ab-initio study	Computational Condensed Matter Elsevier	20, e00386
2019	IUN Lone, M.Md.Sheik Sirajuddeen, S.Rubab	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): FirstPrinciples Calculation	Materials Chemistry and Physics	230, 151-161	3.4
2019	IUN Lone, M.Md.Sheik Sirajuddeen	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	The European Physical Journal Plus	134 (5), 223	3.22
2019	Nazir Ahmad Teli, M.Mohamed Sheik Sirajuddeen	Investigation of half-metallic ferromagnetism in hafnium and tantallum doped NiO for spintronic applications: A DFT study	Current Applied Physics	19 (4), 357-362	2.28
2018	Ikram un Nabi Lone, M.Mohamed Sheik Sirajuddeen	Half metallic ferromagnetism in gallium and zinc doped Chromium Phosphides:First Principles calculations	Journal of Materials chemistry and Physics, Elsevier	203, 65-72.	2.21
2017	Ikram un Nabi Lone, M.Mohamed Sheik Sirajuddeen, I.B.Shameem Banu, S.Sathik Basha	Structural, elastic and magnetic properties of Mn and Sb doped chromium nitride- An ab-initio study.	Journal of Materials chemistry and Physics, Elsevier	192, 291-298	2.21
2016	M.Mohamed Sheik Sirajuddeen and I.B.Shameem Banu	An ab initio study on electronic and magnetic properties of Cr and V doped Cd and Zn nitrides for spintronic applications	Journal of magnetism and magnetic materials	406, 48-59	3.04
2015	M.Mohamed Sheik Sirajuddeen and I.B.Shameem Banu	Electronic and magnetic properties of Fe (Mn) doped Cd and Zn nitrides for spintronic applications – A first principles study	J.Material Science	1446-1456	2.99
2014	M.Mohamed Sheik Sirajuddeen and I.B.Shameem Banu	FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride	AIP Advances	057121	1.653
2014	I. B. Shameem Banu, M. Md. Sheik Sirajuddeen ,	Effect of Pressure on the Electronic and Magnetic Properties of a Few Mn-Based Half-Metallic Compounds	Arabian Journal for Science and Engineering	39:475-483	1.09
2013	M.Mohamed Sheik Sirajuddeen and I.B.Shameem Banu,	FP-LAPW Calculation of Elastic, Thermal Properties and Chemical Bonding of Heavy REN (RE=Tb–Lu),	Journal of Low Temperature Physics, Springer, New York	173, 106-119	1.03

Conferences

Paper Title	Author(s)	Conference	Date
First principles study on the electronic and magnetic properties of half metallic materials under pressure* *-won the best paper award	I.B. Shameem Banu, M. Md Sheik Sirajudeen and M. Prabu	National conference on Materials Science, Aarupadai Veedu Institute of Science & Technology	25-26 February, 2011
FP-LAPW study of electronic, mechanical, thermal properties and Chemical bonding of heavy REN(RE=Tb-Lu)	M.Md.Sheik Sirajuddeen and I.B.Shameem Banu	International Conference on Advances in Materials , Loyola College, Chennai.	05-07, January, 2012.
Half-metallic ferromagnetism in Sc doped in NiO; by first principles calculations	Nazir Ahmad Teli, M.Mohamed Sheik Sirajuddeen	International conference on Recent developments in Science, Humanities and management Amar Singh college, Kashmir	March, 2018

Extension

Link for Students: msheiksirajuddeen.blogspot.com

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Dr. M.Mohamed Sheik Sirajuddeen

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