Name: Dr. Gul Rahman
Designation: Associate Professor
Department: Physics


Phone: +92-51 9064-2031
Status: On Job
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Research Interests Publications Conferences Research Projects

Density Functional Theory of :

Diluted Magnetic Semiconductors

Surface and Interface Magnetism

Nanomagnetism (tubes, sheets, ribbons)


Mechanical Properties



2D Materials

CrAs monolayer: Low buckled two-dimensional half-metal ferromagnetic
Gul Rahman and Z. Jahangirli
Rapid Research Letters (2019)

Dynamically Stable Topological Phase of Arsenene
Gul Rahman, Asad Mehmood, and Vıctor M. Garc´ıa-Su´arez
Scientific Reports, 9 7966 (2019).

Thermoelectric properties of KCaF3
Asad Ali, Altaf Ur Rahman Gul Rahman
Physica B 565, 18,(2019)

Oxygen Vacancy Revived Phonon-Glass Electron-Crystal in SrTiO3
Jamil Ur Rahman, Woo Hyun Nam, Nguyen Van Du, Gul Rahman, Altaf
Ur Rahman, Won-Seon Seo, Weon Ho Shin Myong Ho Kim, and Soonil Lee
Journal of the European Ceramic Society 39 358 (2019

Commensurate versus incommensurate heterostructures of group-III monochalcogenides
Altaf Ur Rahman, Juliana M. Morbec, Gul Rahman,Peter Kratzer
Phys. Rev. Mat. 2, 094002 (2018).

Enhanced electronic and magnetic properties by functionalization of monolayer
GaS via substitutional doping and adsorption
Altaf Ur Rahman, Gul Rahman,Peter Kratzer
J. Phys.: Condens. Matter 30 195805 (2018).

Defects-driven magnetism in Li3N
Saima Kanwal Gul Rahman
J. Mag. Mag. Mat. 466,192 (2018).

Enhanced band edge luminescence of ZnO nanorods after surface passivation
with ZnS
Asad Ali, Gul Rahman, Tahir Ali, M. Nadeem , S.K Hasanain, M.Sultan
Physica E: Low-dimensional Systems and Nanostructures. 103,329 (2018).

Single-atom vacancy in monolayer phosphorene: A comprehensive study of
stability and magnetism under applied strain
Juliana M Morbec Gul Rahman Peter Kratzer
J. Mag. Mag. Mat. 465,546 (2018).

Multifunctional Nanostructured Co-doped ZnO: The Co Spatial Distribution
and the Correlated Magnetic Properties
da Silva, Rafael; Mesquita, Alexandre; de Zevallos, Angela; Chiaramonte,
Thalita; Gratens, Xavier; Chitta, Valmir Antonio; Morbec, Juliana Maria;
Gul Rahman; Garc´ıa-Su´arez, V˜ Actor; Doriguetto, Antonio; Bernardi, Maria
Ines; de Carvalho, Hugo
Phys. Chem. Chem. Phys.20 20257, (2018)

Localized double phonon scattering and DOS-induced thermoelectric enhancement of
degenerate nonstoichiometric Li1xNbO2 compounds
Jamil Ur Rahman, Nguyen Van Du, Gul Rahman, V. M. Garc´ıa-Su´arez,
Won-Seon Seo, Myon Ho Kim and Soonil Lee
RSC Adv.7, 53255

Magnetic monolayer Li2N: Density Functional Theory
Gul Rahman, Altaf Ur Rahman, Saima Kanwal and Peter Kratzer
Euro Phys. Lett., 119, 57002

Thermoelectric properties of n and p-type Cubic and Tetragonal XTiO3 (X=Ba,Pb): A Density Functional Theory Study
Gul Rahman and Altaf Ur Rahman (Accepted, Physica B 2017)

Development of spontaneous magnetism and half-metallicity in monolayer MoS2
Altaf Ur Rahman, Gul Rahman and  V. M. García-Suárez
J. Magn. Magn. Mater.( (2017) 

Ground state structure of  BaFeO3: DFT calculations
Gul Rahman and Saad Sarwar  (Accepted, pss B 2015)
J. Supercond. Nov. Magn.  (DOI 10.1007/s10948-017-4223-1),(2017)

Elastic and magnetic properties of Fe4C from first-principles
Gul Rahman and Haseen Ullah Jan
J. Supercond. Nov. Magn.  (DOI 10.1007/s10948-017-4224-0),(2017)

Strain and correlation induced half-metallic ferromagnetism in orthorhombic  BaFeO3.
Gul Rahman and Saad Sarwar, Phys. Status Solidi B 1-6, (2015).

Nitrogen-induced Ferromagnetism in BaO
Gul Rahman (
RSC Adv.  (DOI 10.1039/C5RA03573B) (2015))

Distortion induced magnetic phase transition in cubic BaFeO3: Density Functional Theory
Gul Rahman, Juliana M. Morbec, R. Ferradás,  and V. M. García-Suárez
J. Magn. Magn. Mater. (DOI 10.1016/j.jmmm.2015.11.002) (2015)

Spin-polarized surface state in Li-doped SnO2(001)
Naseem Ud Din and 
Gul Rahman
RSC Adv. 4, 29884(2014)

Distortion and electric field control of band structure of silicene
Gul Rahman
Euro Phys. Lett, 105, 37012
(2014) .

Role of vacancies in the magnetic and electronic properties of SiC nanoribbons: an ab initio study

J. M. Morbec and Gul Rahman (2013)

Phys.Rev.B  87, 115428 (2013)

Stabilizing intrinsic defects in SnO2

Gul Rahman, Naseem Ud Din,  Vä±ctor M. Garcä±a-Suarez, and E. Kan 

Phys.Rev.B  87, 205205 (2013)

Epitaxial  growth of BaTiO3 on MgO: First-principles calculations

Sobia Qadir and Gul Rahman (2013)

Submitted Under Review.


Intrinsic Magnetism in Nanosheets of SnO2: A First-principles Study

Gul Rahman, Vä±ctor M. Garcä±a-Suarez, and J. M. Morbec

J. Magn. Magn. Mater. 328, 104 (2013)

Spin polarization in Co-doped ZnO: Ab-initio Calculations

Vä±ctor M. Garcä±a-Suarez, Gul Rahman, and J. S. Thakur (2012)

Submitted Under Review.


A first-principles investigation on the effects of magnetism  on the Bain transformation of alpha-phase FeNi systems

Gul Rahman, In Gee Kim, H. K. D. H. Bhadeshia

J. Appl. Phys. 111, 063503(2012)


Ab initio prediction of pressure-induced structural phase transition of superconducting FeSe

Gul Rahman, In Gee Kim, and A. J. Freeman

J. Phys.: Condens. Matter 24, 095502 (2012)


Ab-initio study on magnetism of Al impurity in bcc Fe

Gul Rahman and In Gee Kim

J. Magnetics 16, 1 (2011)


First-principles prediction of spin-density-reflection symmetry driven magnetic transition of

CsCl-type FeSe

Gul Rahman, In Gee Kim, and A. J. Freeman

J. Magn. Magn. Mater. 322, 3153 (2010)


A systematic study on iron carbides from first-principles

In Gee Kim, Gul Rahman, Jae Hoon Jang, You Young Song, Seung-Woo Seo, H. K. D. H. Bhadeshia, A. J. Freeman, and G. B. Olson

Materials Science Forum 654-656 47-50 (2010).


Magnetism and electronic structures of 3d transition-metal impurities in bcc Fe: A first-principles study

Gul Rahman, In Gee Kim, H. K. D. H. Bhadeshia, and A. J. Freeman

Phys.Rev.B 81 184423 (2010).


Strain-induced half metallic ferromagnetism in zinc blende CrP/MnP superlattice: First-principles study

Gul Rahman

Phys.Rev.B 81, 124410 (2010).


Surface-induced magnetism in C-doped SnO2

Gul Rahman and Vä±ctor M. Garcä±a-Suarez

Appl.Phys.Lett. 96, 052508 (2010).


A Convergence Test of the Full-potential Linearized Augmented Plane Wave (FLAPW) Method: Ferromagnetic BCC Bulk Fe

Seung-Woo Seo, You Young Song, Gul Rahman, In Gee Kim, Michael Weinert, and A. J. Freeman

J. Magnetics 14, 137 (2009).


Magnetic and electronic etructure calculations of Antiferromagnetic Mn2As

Gul Rahman

J. Magn. Magn. Mater. 321, 2775 (2009).


Magnetic Properties of Anti-perovskite Tetracobalt Nitride Surfaces: A First-principles Study

Gul Rahman, In Gee Kim, Lee-Hyun Cho, Beata Bia lek and Jae Il Lee

J.Korean. Phys. Soc. 54, 145 (2009).


A First-principles Study on Magnetic and Electronic Properties of Ni Impurity in bcc Fe

Gul Rahman and In Gee Kim

J. Magnetics 13, 124 (2008).


A First-principles Study on the Effects on Magnetism of Si Impurity in BCC Fe by Considering

Spin-orbit Coupling

Gul Rahman, In Gee Kim, and Sam Kyu Chang

J. Korean Magnetic Soc. 18, 211 (2008).


Vacancy-induced magnetism in SnO2: A density functional study

Gul Rahman, Vä±ctor M. Garcä±a-Suarez, and Soon Cheol Hong

Phys. Rev. B 78, 184404 (2008).


Possible magnetism of Be-doped BN nanotubes

Gul Rahman and Soon Cheol Hong

J. Nanosci. Nanotechnol. 8, 4711 (2008).


Magnetism of zinc blende Fe chalcogenides: First-principles Calculations

Gul Rahman, Sunglae Cho, and Soon Cheol Hong

J. Korean. Phys. Soc. 53, 380 (2008).


Electronic and magnetic properties of digitally Ti doped InP. A first-principles study

Gul Rahman, Sunglae Cho, and Soon Cheol Hong

Physica Status Solidi (a) 205, 1860 (2008).


Half metallic ferromagnetism of Mn doped AlSb: A first-principles study

Gul Rahman, Sunglae Cho, and Soon Cheol Hong

Physica Status Solidi (b) 244, 4435 (2007).

Magnetism of zinc blende CrP(001) surface.

Gul Rahman, Sunglae Cho, and Soon Cheol Hong

J. Magn. Magn. Mater. 310, 2192 (2007).


Magnetic and electronic structures of zinc blende FeX (X=P, As, Sb) by first-principles calculations.

Gul Rahman, Sunglae Cho, and Soon Cheol Hong

J. Magn. Magn. Mater. 304, e146 (2006).

Quaid-i-Azam University Islamabad, 45320, Pakistan.
Tel: +92-51 9064 0000,