Spatial distribution of neutral oxygen vacancies on ZnO nanowire surfaces: an investigation combining confocal microscopy and first principles calculations K Mun Wong, SM Alay-e-Abbas, Y Fang, A Shaukat, Y Lei Journal of Applied Physics 114 (3), 2013 | 307 | 2013 |
First-principles investigation of the size-dependent structural stability and electronic properties of O-vacancies at the ZnO polar and non-polar surfaces K Mun Wong, SM Alay-e-Abbas, A Shaukat, Y Fang, Y Lei Journal of Applied Physics 113 (1), 2013 | 239 | 2013 |
First-principles calculations of structural, electronic and optical properties of CdxZn1− xS alloys NA Noor, N Ikram, S Ali, S Nazir, SM Alay-e-Abbas, A Shaukat Journal of Alloys and Compounds 507 (2), 356-363, 2010 | 108 | 2010 |
Systematic study of elastic, electronic, optical and thermoelectric properties of cubic BiBO3 and BiAlO3 compounds at different pressure by using ab-initio calculations NA Noor, M Hassan, M Rashid, SM Alay-e-Abbas, A Laref Materials Research Bulletin 97, 436-443, 2018 | 93 | 2018 |
First-principles evaluation of Co-doped ZnS and ZnSe ferromagnetic semiconductors Q Mahmood, SM Alay-e-Abbas, M Hassan, NA Noor Journal of Alloys and Compounds 688, 899-907, 2016 | 90 | 2016 |
An ab-initio study of the structural, electronic and magnetic properties of half-metallic ferromagnetism in Cr-doped BeSe and BeTe SM Alay-e-Abbas, KM Wong, NA Noor, A Shaukat, Y Lei Solid State Sciences 14 (10), 1525-1535, 2012 | 82 | 2012 |
Study of half-metallic ferromagnetism in V-doped CdTe alloys by using first-principles calculations M Sajjad, HX Zhang, NA Noor, SM Alay-e-Abbas, A Shaukat, Q Mahmood Journal of magnetism and magnetic materials 343, 177-183, 2013 | 81 | 2013 |
Theoretical investigation of mechanical, optoelectronic and thermoelectric properties of BiGaO3 and BiInO3 compounds RB Behram, MA Iqbal, SM Alay-e-Abbas, M Sajjad, M Yaseen, MI Arshad, ... Materials Science in Semiconductor Processing 41, 297-303, 2016 | 71 | 2016 |
The under-pressure behaviour of mechanical, electronic and optical properties of calcium titanate and its ground state thermoelectric response NA Noor, SM Alay-e-Abbas, M Hassan, I Mahmood, ZA Alahmed, ... Philosophical Magazine 97 (22), 1884-1901, 2017 | 63 | 2017 |
Shift of indirect to direct bandgap and thermoelectric response of the cubic BiScO3 via DFT-mBJ studies NA Noor, M Rashid, SM Alay-e-Abbas, M Raza, A Mahmood, SM Ramay, ... Materials Science in Semiconductor Processing 49, 40-47, 2016 | 55 | 2016 |
Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO3 SM Alay-e-Abbas, S Nazir, NA Noor, N Amin, A Shaukat The Journal of Physical Chemistry C 118 (34), 19625, 2014 | 54 | 2014 |
Revisiting the structural, electronic and photocatalytic properties of Ti and Zr based perovskites with meta-GGA functionals of DFT W Zulfiqar, SM Alay-e-Abbas, G Abbas, A Laref, JA Larsson, A Shaukat Journal of Materials Chemistry C 9 (14), 4862-4876, 2021 | 53 | 2021 |
Theoretical investigation of structural, electronic, and magnetic properties of V-doped MgSe and MgTe semiconductors M Sajjad, HX Zhang, NA Noor, SM Alay-e-Abbas, M Younas, M Abid, ... Journal of Superconductivity and Novel Magnetism 27, 2327-2336, 2014 | 49 | 2014 |
Analysis of optoelectronic and trasnport properties of magnesium based MgSc2X4 (X= S, Se) spinels for solar cell and energy storage device applications W Tahir, GM Mustafa, NA Noor, SM Alay-e-Abbas, Q Mahmood, A Laref Ceramics International 46 (17), 26637-26645, 2020 | 47 | 2020 |
Study of the Zn0. 75M0. 25Te (M= Fe, Co, Ni) diluted magnetic semiconductor system by first principles approach Q Mahmood, A Javed, G Murtaza, SM Alay-e-Abbas Materials Chemistry and Physics 162, 831-838, 2015 | 47 | 2015 |
Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO3 SM Alay-e-Abbas, S Nazir, S Cottenier, A Shaukat Scientific Reports 7 (1), 8439, 2017 | 46 | 2017 |
FIRST-PRINCIPLES STUDY OF STRUCTURAL AND ELECTRONIC PROPERTIES OF ALKALI METAL CHALCOGENIDES: M2CH [M: LI, NA, K, RB; CH: O, S, SE, TE] SM Alay-e-Abbas, N Sabir, Y Saeed, A Shaukat International Journal of Modern Physics B 25 (29), 3911-3925, 2011 | 42 | 2011 |
The half-metallic ferromagnetism character in Be1− xVxY (Y= Se and Te) alloys: an ab-initio study M Sajjad, S Manzoor, HX Zhang, NA Noor, SM Alay-e-Abbas, A Shaukat, ... Journal of Magnetism and Magnetic Materials 379, 63-73, 2015 | 39 | 2015 |
Formation energies and electronic structure of intrinsic vacancy defects and oxygen vacancy clustering in BaZrO 3 SM Alay-e-Abbas, S Nazir, A Shaukat Physical Chemistry Chemical Physics 18 (34), 23737-23745, 2016 | 37 | 2016 |
FP-LAPW calculations of structural, electronic, and optical properties of alkali metal tellurides: M2Te [M: Li, Na, K and Rb] SM Alay-e-Abbas, A Shaukat Journal of Materials Science 46, 1027-1037, 2011 | 37 | 2011 |