Dr. Syed Muhammad Alay-E-Abbas

Associate Professor at Government College University Faisalabad

Dr. Syed Muhammad Alay-E-Abbas

Contact Details

Email Address alayabbas@gcuf.edu.pk
Phone Number 041-9201372
Office Address GC University Faisalabad
Academic Profiles
Basic Information
Full Name
Dr. Syed Muhammad Alay-E-Abbas
Designation
Associate Professor
Department
Physics
Faculty
Physical Science
Email Address
alayabbas@gcuf.edu.pk

Brief Statement of research work

My research focuses on exploring bulk and 2D functional materials suitable for photocatalysis, energy harvesting, ferromagnetic and thermoelectric applications by employing a combination of ab-initio DFT calculations and Machine Learning techniques.

Academic Background
SR. DEGREE INSTITUTE FROM TO
1 Postdoctorate Other University 2021 2022
2 Ph.D University of Sargodha, Sargodha 2012 2017
3 M.Phil Or MS Government College University, Faisalabad 2007 2009
4 Master Or Equivalent Government College University, Faisalabad 2003 2005
Research Publications
SR. AUTHORS PAPER TITLE JOURNAL PAGE# YEAR VOL. IMP.F VIEW
1 Sirag Ahmed , Syed Muhammad Alay-e-Abbas Unveiling the role of 4f and 5d states in modulating thermoelectric and photocatalytic properties of La and Ce-doped SrTiO3 Ceramics International 48849-48860 2025 51 0
2 Farrukh Javed, Waqas Zulfiqar , Sirag Ahmed, Ghulam Abbas, Syed Muhammad Alay-e-Abbas Efficient first-principles evaluation of thermodynamic stability, physical properties and photocatalytic performance of alkali-metal tantalates Materials Research Bulletin 113252 2025 184 0
3 Ghulam Abbas, Syed Muhammad Alay-e-Abbas, J. Andreas Larsson, Yijun Shi First principles insights into triboelectrification during solid-solid contact: The curious case of 2D MXenes and aluminum Nano Energy 110096 2024 129 0
4 Waqas Zulfiqar , Farrukh Javed , Ghulam Abbas , J. Andreas Larsson, Syed Muhammad Alay-e-Abbas Stabilizing the dopability of chalcogens in BaZrO3 through TiZr co-doping and its impact on the opto-electronic and photocatalytic properties: A meta-GGA level DFT study International Journal of Hydrogen Energy 409-415 2024 58 0
5 Ghulam Abbas, Syed Muhammad Alay-e-Abbas, J. Andreas Larsson, Yijun Shi Corrigendum to ���First principles insights into triboelectrification during solid-solid contact: The curious case of 2D MXenes and aluminum��� [Nano Energy 129 (2024) 110096] Nano Energy 110137 2024 130 0
6 Muhammad Bilal, Syed Muhammad Alay-e-Abbas, Ghulam Abbas, Farrukh Javed, Waqas Zulfiqar, Nasir Amin Elucidating the Surface Properties of Sr3PbO Inverse-Perovskite Topological Insulator: A First-Principles Study Physica Status Solidi: Basic Solid State Physics 2300373 2024 261 0
7 SYED MUHAMMAD ALAY-E-ABBAS, GHULAM ABBAS, WAQAS ZULFIQAR, MUHAMMAD SAJJAD, NIRPENDRA SINGH, J ANDREAS LARSSON Structure inversion asymmetry enhanced electronic structure and electrical transport in 2D A3SnO (A="" Ca, Sr, and Ba) anti-perovskite monolayers Nano Research 1779 2023 16 10.26
8 Ghulam Abbas, Gustav Johansson, Syed Muhammad Alay-e-Abbas, Yijun ShiJ, Andreas Larsson Quasi Three-Dimensional Tetragonal SiC Polymorphs as Efficient Anodes for Sodium-Ion Batteries ACS Applied Energy Materials 8976���8988 2023 6 0
9 S Naseem, SM Alay-e-Abbas, S Nazir Thermodynamics and a definite large half-metallic spin gap along with a magnetic anisotropy in La-doped Ba NiIrO6 Materials Science in Semiconductor Processing 107425 2023 160 0
10 S NAZIR, W AKBAR, SHAHNILA NASEEM, M ZULFIQAR, SYED MUHAMMAD ALAY-E-ABBAS, JUN NI Emergence of robust half-metallic spin gap and a sizeable magnetic anisotropy in electron-doped Ca FeOsO6 Materials Chemistry and Physics 126946 2023 294 4.6
11 SHAHNILA NASEEM, SYED MUHAMMAD ALAY-E-ABBAS, S NAZIR Thermodynamics and a definite large half-metallic spin gap along with a magnetic anisotropy in La-doped Ba NiIrO6 Materials Science in Semiconductor Processing 107425 2023 160 4.1
12 S. AHMED, W. ZULFIQAR, F. JAVED, H. ARSHAD, H., G. ABBAS, A. LAREF, SYED MUHAMMAD ALAY-E-ABBAS Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites Journal of Alloys and Compounds 162071 2022 892 5.316
13 WAQAS ZULFIQAR, SYED MUHAMMAD ALAY-E-ABBAS Improved thermodynamic stability and visible light absorption in Zr+ X codoped (X="" S, Se and Te) BaTiO3 photocatalysts: A first-principles study Materials Today Communications 103867 2022 32 308
14 WAQAS ZULFIQAR, SYED MUHAMMAD ALAY-E-ABBAS, GHULAM ABBAS, AMEL LAREF, J. ANDREAS LARSSON, ALI SHAUKAT Revisiting the structural, electronic and photocatalytic properties of Ti and Zr based perovskites with meta-GGA functionals of DFT Journal of Materials Chemsitry C 4862 2021 9 7.393
15 S. FAIZA-RUBAB, SHAHNILA NASEEM, SYED MUHAMMAD ALAY-E-ABBAS, M. ZULFIQAR, Y. ZHAO, S. NAZIR Structural stability and evolution of half-metallicity in Ba2CaMoO6: Interplay of hole-and electron-doping Physical Chemsitry Chemical Physics 19472 2021 23 3.676
16 R. M. AL-AMER, F. BARAKAT, G. H. ALJALHAM, H. R. AL QAHTANI, A. LAREF, SYED MUHAMMAD ALAY-E-ABBAS, S. M., Q. MAHMOOD, S. LAREF, Z. I. BOOQ, X. WU Electronic and optical characteristics of 5d-transition metal doped 2D-NbSe2 monolayer for nanoelectronic device applications: An ab-initio-analysis Materials Science and Engineering: B 115155 2021 269 5.234
17 MUHAMMAD BILAL, SYED MUHAMMAD ALAY-E-ABBAS, MICHAEL SLUYDTS, JAVARIA BATOOL, AMEL LAREF, GHULAM ABBAS, NASIR AMIN DFT insights into surface properties of anti-perovskite 3D topological crystalline insulators: A case study of (001) surfaces of Ca3SnO Physics Letters A 127469 2021 408 2.654
18 JAVARIA BATOOL, SYED MUHAMMAD ALAY-E-ABBAS, GUSTAV JOHANSSON, WAQAS ZULFIQAR, MUHAMMAD ARSAM DANISH, MUHAMMAD BILAL, J. ANDREAS LARSSON, NASIR AMIN Oxygen vacancy induced magnetism in anti-perovskite topological dirac semimetal Ba3SnO Physical Chemsitry Chemical Physics 24878 2021 23 3.676
19 SHAHEEN AKHTAR SYED MUAHMMAD ALAY-E-ABBAS, JAVARIA BATOOL, WAQAS ZULFIQAR, AMEL LAREF, GHULAM ABBAS, NASIR AMIN Investigation of structural, electronic and optical properties of (V+P)-doped BaZrO3 for photocatalytic applications using density functional theory Journal of Physics and Chemistry of Solids 109662 2020 147 3.442
20 W. TAHIR, G. M. MUSTAFA, N. A. NOOR, SYED MUHAMMAD ALAY-E-ABBAS, QASIM MAHMOOD, AMEL LAREF, ANALYSIS OF OPTOELECTRONIC AND TRASNPORT PROPERTIES OF MAGNESIUM BASED MGSC2X4 (X="" S, SE) SPINELS FOR SOLAR CELL AND ENERGY STORAGE DEVICE APPLICATIONS. Analysis of optoelectronic and trasnport properties of magnesium based MgSc2X4 (X="" S, Se) spinels for solar cell and energy storage device applications Ceramics International 26637 2020 46 4.527
21 IRFAN ELAHI, SYED MUHAMMAD ALAY-E-ABBAS, SAFDAR NAZIR, GHULAM ABBAS, WASEEM AKBAR, ALI SHAUKAT, MUHAMMAD NAWAZ TAHIR Formation energetics, electronic structure and ferromagnetic properties of C-, Si-and Ge-doped zinc blende cadmium chalcogenides Materials Today Communications 101652 2020 25 3.383
22 MUHAMMAD BILAL, SYED MUHAMMAD ALAY-E-ABBAS, AMEL LAREF, MUNAZZA NOOR, NASIR AMIN First-principles investigations of structural, energetic and electronic properties of (001) surfaces of cubic inverse-perovskite Sr3SnO Journal of Physics and Chemistry of Solids 109191 2020 136 3.442
23 A LAREF, M ALSAGRI, SYED MUHAMMAD ALAY-E-ABBAS, S LAREF, HM HUANG, YC XIONG, JT YANG, SHAKEEL AHMAD KHANDY, DIBYA PRAKASH RAI, DINESH VARSHNEY, XIAOZHI WU Electronic structure and optical characteristics of AA stacked bilayer graphene: A first principles calculations Optik 163755 2020 206 2.187
24 GHULAM ABBAS, SYED MUHAMMAD ALAY-E-ABBAS, AMEL LAREF, YU LI, WEN-XING ZHANG Two-Dimensional B3P monolayer as a superior anode material for Li and Na ion batteries: A first-principles study Materials Today Energy 100486 2020 17 5.604
25 I ELAHI, S M ALAY-E-ABBAS, S NASIR, A SHAUKAT, M N TAHIR Evaluation of thermodynamics and p-type ferromagnetism of C, Si and Ge doped ZnX (X="" S, Se and Te) semiconductors. Journal of Magnetism and Magnetic Materials 78 2019 390 3.046
26 SYED MUHAMMAD ALAY-E-ABBAS, M. W. YOUSAF, GHULAM ABBAS, NASIR AMIN, AMEL LAREF, Theoretical investigation of thermodynamic and optoelectronic properties of Ce4+ doped SrZrO3 ceramics: A DFT study Ceramics International 18281 2019 45 3.83
27 A LAREF, M ALSAGRI, SYED MUHAMMAD ALAY-E-ABBAS, F BARAKAT, S LAREF, HM HUANG, YC XIONG, JT YANG, XIAOZHI WU Impact of phosphorous and sulphur substitution on Dirac cone modification and optical behaviors of monolayer graphene for nano-electronic devices Applied Surface Science 358 2019 489 6.182
28 SYED MUHAMMAD ALAY-E-ABBAS, FARRUKH JAVED, GHULAM ABBAS, NASIR AMIN, AMEL LAREF, Density functional theory evaluation of ceramics suitable for hybrid advanced oxidation processes: A case study for Ce4+ doped BaZrO3. Journal of Physical Chemistry C 6044 2019 123 4.189
29 S AKHTAR, S M ALAY-E-ABBAS, S M G ABBAS, M I ARSHAD, J BATOOL, N AMIN First-principles evaluation of electronic and optical properties of (Mo,C) codoped BaHfO3 for applications in photocatalysis Journal of Applied Physics 161569 2018 123 2.176
30 N A NOOR, M HASSA, M RASHID, S M ALAY-E-ABBAS, A LAREF Systematic study of elastic, electronic, optical and thermoelectric properties of BiBO3 and BiAlO3 Materials Research Bulletin 436 2018 97 2.873
31 J BATOOL, S M ALAY-E-ABBAS, N AMIN Thermodynamic, electronic, and magnetic properties of intrinsic vacancy defects in antiperovskite Ca3SnO. Journal of Applied Physics 161516 2018 123 2.176
32 S M ALAY-E-ABBAS, S NAZIR, S COTTENIER, A SHAUKAT Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO 3 Scientific Reports 8439 2017 7 4.259
33 NA NOOR, SM ALAY-E-ABBAS, M HASSAN, I MAHMOOD, ZA ALAHMED, A. H. RESHAK The under-pressure behaviour of mechanical, electronic and optical properties of calcium titanate and its ground state thermoelectric response Philosophical Magazine 1884 2017 97 1.632
34 J BATOOL, SM ALAY-E-ABBAS, A ALI, K MAHMOOD, S AKHTAR, N AMIN The role of intrinsic vacancy defects in the electronic and magnetic properties of Sr 3 SnO: a first-principles study RSC Advances 6880 2017 7 3.108
35 Q MAHMOOD, SM ALAY-E-ABBAS, M HASSAN, NA NOOR First-principles evaluation of Co-doped ZnS and ZnSe ferromagnetic semiconductors Journal of Alloys and Compounds 899 2016 688 3.014
36 Q MAHMOOD, SM ALAY-E-ABBAS, I MAHMOOD, MAHMOOD ASIF, NA NOOR Investigations of mechanical, electronic, and magnetic properties of non-magnetic MgTe and ferro-magnetic Mg 0.75 TM 0.25 Te (TM="" Fe, Co, Ni): An ab-initio calculation Chinese Physics B 47101 2016 25 1.603
37 NA NOOR, M RASHID, S M ALAY-E-ABBAS, M RAZA, A MAHMOOD, S M RAMAY, G MURTAZA Shift of indirect to direct bandgap and thermoelectric response of the cubic BiScO 3 via DFT-mBJ studies Materials Science in Semiconductor Processing 40 2016 49 2.264
38 S M ALAY-E-ABBAS, S NAZIR, A SHAUKAT Formation energies and electronic structure of intrinsic vacancy defects and oxygen vacancy clustering in BaZrO 3 Physics Chemistry Chemical Physics 23737 2016 18 4.449
39 R B BEHRAM, M A IQBAL, S M ALAY-E-ABBAS, M SAJJAD, M YASEEN, M I ARSHAD, G MURTAZA Theoretical investigation of mechanical, optoelectronic and thermoelectric properties of BiGaO 3 and BiInO 3 compounds Materials Science in Semiconductor Processing 297 2016 41 2.264
40 Q MAHMOOD, SM ALAY-E-ABBAS, M YASEEN, ASIF MAHMOOD, M RASHID, NA NOOR Theoretical Investigation of Half-metallic Ferromagnetism in Mg 0. 7 5 Ti 0. 2 5 Y (Y="" S, Se, Te) Alloys by Using DFT-mBJ Studies Journal of Superconductivity and Novel Magnetism 1387 2016 29 1.02
41 Q MAHMOOD, SM ALAY-E-ABBAS, ASIF MAHMOOD, M YASEEN, I MAHMOOD, NA NOOR Study of Half-Metallic Ferromagnetism in Be0. 75Ti0. 25Y (Y="" S, Se, and Te) Using Ab Initio Calculations: Potential Candidate for Spintronic Devices Journal of Superconductivity and Novel Magnetism 521 2016 29 1.02
42 S M ALAY-E-ABBAS, S NAZIR, A SHAUKAT First-principles characterization of chemical stability, defect formation energies and n-type conductivity in SrZrO 3 Journal of Alloys and Compounds 465 2015 651 3.014
43 M SAJJAD, SADIA MANZOOR, HX ZHANG, NA NOOR, SM ALAY-E-ABBAS, A SHAUKAT, R KHENATA The half-metallic ferromagnetism character in Be1-xVxY (Y="" Journal of Magnetism and Magnetic Materials 63 2015 379 2.357
44 M SAJJAD, SM ALAY-E-ABBAS, HX ZHANG, NA NOOR, Y SAEED, IMRAN SHAKIR, A SHAUKAT First principles study of structural, elastic, electronic and magnetic properties of Mn-doped AlY (Y="" N, P, As) compounds Journal of Magnetism and Magnetic Materials 78 2015 390 2.357
45 Q MAHMOOD, A JAVED, G MURTAZA, SM ALAY-E-ABBAS Study of the Zn 0.75 M 0.25 Te (M="" Fe, Co, Ni) diluted magnetic semiconductor system by first principles approach Materials Chemistry and Physics 831 2015 162 2.101
46 NA NOOR, SM ALAY-E-ABBAS, MU SOHAIB, SM GHULAM ABBAS, A SHAUKAT Ab initio calculations of half-metallic ferromagnetism in Cr-doped MgSe and MgTe semiconductors Journal of Magnetism and Magnetic Materials 164 2015 374 2.357
47 M SAJJAD, HX ZHANG, NA NOOR, SM ALAY-E-ABBAS, M ABID, A SHAUKAT Half-metallic ferromagnetism in V-doped ZnTe semiconductor at reduced dopant concentration Modern Physics Letters B 1450104 2014 28 .687
48 NA NOOR, S ALI, G MURTAZA, M SAJJAD, SM ALAY-E-ABBAS, A SHAUKAT, ZA ALAHMED, AH RESHAK Theoretical investigation of band gap and optical properties of ZnO 1-xTex alloys (x="" Computational Materials Science 151 2014 93 2.086
49 M SAJJAD, HX ZHANG, NA NOOR, SM ALAY-E-ABBAS, M YOUNAS, M ABID, A SHAUKAT Theoretical investigation of structural, electronic, and magnetic properties of V-doped MgSe and MgTe semiconductors Journal of Superconductivity and Novel Magnetism 2327 2014 27 1.02
50 SM ALAY-E-ABBAS, S NAZIR, NA NOOR, N AMIN, A SHAUKAT Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO3 The Journal of Physical Chemistry C 19625 2014 118 4.509
51 SM ALAY-E-ABBAS, S NAZIR, KM WONG, A SHAUKAT, U SCHWINGENSCHL��GL Chemical stability and defect formation in CaHfO3 EPL (Europhysics Letters) 27003 2014 106 1.963
52 SM ALAY-E-ABBAS, A SHUKAT First-principles study of thermodynamic stability and the electronic properties of intrinsic vacancy defects in barium hafnate Journal of Physics Condensed Matter 435501 2014 26 2.209
53 J MARIA, S NAZIR, SM ALAY-E-ABBAS, A SHAUKAT Half-metallic ferromagnetism in ordered LaBaCo 2 O 6 and disordered La 0.5 Ba 0.5 CoO 3: DFT+U study Journal of Magnetism and Magnetic Materials 230 2014 368 2.357
54 NA NOOR, SM ALAY-E-ABBAS, Y SAEED, SMG ABBAS, A SHAUKAT Ab initio study of electronic structure and magnetic properties in ferromagnetic Be1-x Mn x Se and Be 1-x Mn x Te alloys Journal of Magnetism and Magnetic Materials 11 2013 339 2.357
55 M SAJJAD, HX ZHANG, NA NOOR, SM ALAY-E-ABBAS, A SHAUKAT, Q MAHMOOD Study of half-metallic ferromagnetism in V-doped CdTe alloys by using first-principles calculations Journal of Magnetism and Magnetic Materials 177 2013 343 2.357
56 SM ALAY-E-ABBAS, S YOUNAS, S HANIF, M SHARIF, IQBAL HUSSAIN, SM GHULAM ABBAS, A SHAUKAT Structural, Electronic, Magnetic and Optical Properties of Ferromagnetic Pb1-xEuxSe and Pb1-xEuxTe Alloys (x ="" 0, 0.25, 0.5, 0.75, 1) International Journal of Modern Physics B 1350100 2013 27 .79
57 K M WONG, S M ALAY-E-ABBAS, Y FANG, A SHAUKAT, Y LEI Spatial distribution of neutral oxygen vacancies on ZnO nanowire surfaces: An investigation combining confocal microscopy and first principles calculations Journal of Applied Physics 034901 2013 114 2.183
58 K M WONG, S M ALAY-E-ABBAS, A SHAUKAT, Y FANG, Y LEI First-principles investigation of the size-dependent structural stability and electronic properties of O-vacancies at the ZnO polar and non-polar surfaces Journal of Applied Physics 014304 2013 113 2.183
59 K M WONG, S M ALAY-E-ABBAS, A SHAUKAT, Y LEI DFT + U study of the structural and electronic properties of the ferromagnetic and antiferromagnetic ordering in the PbS-based ternary alloys Pb1-xEuxS Solid State Sciences 24 2013 18 2.041
60 M RASHID, F HUSSAIN, M IMRAN, S A AHMAD, N A NOOR, M U SOHAIB, S M ALAY-E-ABBAS Structural, electronic, and optical properties of ZnO1-xSex alloys using first-principles calculations Chinese Physics B 087301 2013 22 1.603
61 SM ALAY-E-ABBAS, A SAJID FP-LAPW+ lo study of structural, electronic and optical properties of Mg1-xSrxTe alloys Chinese Journal of Physics 790 2013 51 .464
62 SM ALAY-E-ABBAS, KM WONG, NA NOOR, A SHAUKAT, Y LEI An ab-initio study of the structural, electronic and magnetic properties of half-metallic ferromagnetism in Cr-doped BeSe and BeTe Solid State Sciences 1525 2012 14 2.041
63 A SAJID, SM ALAY-E-ABBAS, A AFAQ, A SHAUKAT Structural, Electronic and Optical Properties of MgSxSe1-x, MgSxTe1-x and MgSexTe1-x (0 < x < 1) alloys from first-principles International Journal of Modern Physics B 1250098 2012 26 .79
64 SM ALAY-E-ABBAS, A SHAUKAT FP-LAPW calculations of structural, electronic, and optical properties of alkali metal tellurides: M2Te [M: Li, Na, K and Rb] Journal of Materials Science 1027 2011 46 2.302
65 SM ALAY-E-ABBAS, N SABIR, Y SAEED, A SHAUKAT First-Principles Study of structural and electronic properties of alkali metal chalcogenides: M2Ch [M: Li, Na, K, Rb; Ch: O, S, Se, Te] International Journal of Modern Physics B 3911 2011 25 .79
66 SM ALAY-E-ABBAS, A SHAUKAT First principles study of structural, electronic and optical properties of polymorphic forms of Rb 2 Te Solid State Sciences 1052 2011 13 2.041
67 NA NOOR, N IKRAM, S ALI, S NAZIR, SM ALAY-E-ABBAS, A SHAUKAT First-principles calculations of structural, electronic and optical properties of Cd x Zn 1-x S alloys Journal of Alloys and Compounds 356 2010 507 3.014
68 SM ALAY-E-ABBAS, N SABIR, Y SAEED, A SHAUKAT Electronic and optical properties of alkali metal selenides in anti-CaF 2 crystal structure from first-principles Journal of Alloys and Compounds 10 2010 503 3.014
Professional Journey

Employment history is being updated and will be available soon.

International Exposure
SR. COUNTRY FUNDING AGENCY DURATION (Y/M/D) PURPOSE
1 GERMANY NA 0/0/0 Visit
2 SWITZERLAND NA 0/0/0 Visit
3 NETHERLANDS NA 0/0/0 Visit
4 AUSTRIA NA 0/0/0 Visit
5 BELGIUM HEC 0/0/0 Research
6 FINLAND NA 0/0/0 Visit
7 NORWAY NA 0/0/0 Visit
8 SWEDEN Kempe Foundation 2/0/0 Postdoc
9 ITALY ICTP Trieste 2024-04-01 Training workshop
Professional qualifications & traninings

No professional certifications or trainings recorded yet.

Research Projects

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