English العربية کوردی
01006013

Dr. Hameed Tawfiq Abdulla

Lecturer
College of Science / Department of Physics
009647504864205
hameed.abdulla@uoz.edu.krd
Number of Publications: 13
0
Awards
13
Published Journal Articles
2
Thesis
2
Training Course

0
Book Chapter
2
Conference
4
Presentation
3
Workshop
2023
Doctor of Philosophy

Physics
Zakho

2013
Master

Physics and Astronomy
Sheffield, UK

2009
Bachelor

Physics
Duhok

LabView

Abinit

Origin Pro.

OOMMF

EndNote

Artificial Intelligence (AI)

X
Linkedin
Researchgate
Facebook
Googlescholar
Academia
Orcid
Skype
Publons
Vk
Instagram
Web of science
Iop science
Credentials
Skype/microsoft account
Nature masterclasses
Elsevier/research academy
Telegram
Scopus
Clarivate (master journal list)
Indexed journals search engibe (jindex)
Scientific world connecting great minds
American physical society (aps)
Ssrn
Canadian science publishing

2024

Member

Phd Work Assessment (Three Month Follow-Up Process)

2024-11-20,current
Member

Ranking Committee

2024-06-30,current
Member

Program Committee

2024-06-20,current
Member

Examination Committee

2024-05-12,current
Member

PhD Proposal Revision Committee

2024-03-13,current
Memeber

Examination Committee

2024-01-15,current

2023

Member

Entrance Marks Committee

2023-09-10,current

2015

Member

Exam Committee

2015-09-20,current
Lecturer

Date: 2023-03-02

Assistant Lecturer

Date: 2015-11-25

2026

Computational Investigation of the Structural, Phonon, Optoelectronic, Mechanical and Hydrogen Storage Properties of Rare-Earth Hydrides BYRuH6 (B = Na, K)
Computational Condensed Matter
This study uses density functional theory (DFT) in conjunction with ab initio molecular dynamics (AIMD) approaches, as implemented in the Quantum ESPRESSO package, to investigate the reliability of rare earth hydrides BYRuH6 (B = Na, K). Here, we have evaluated the stability of their structure by calculating phonon dispersions and AIMD. Acoustic modes are generated by Na+ and K+ ions where there is harmony in their vibrations and no sight for negative frequencies. Whereas, both compounds show flat optical modes, which are indicators of the localized vibration of the H atom. While the energy fluctuates around -351.31 Ry for KYRuH6 and -389.75 Ry for NaYRuH6, where there is no sign of drift or structural phase transition. Electronic properties show that both materials are semiconductors with a certain optical response to the radiation. Elastic and mechanical findings show that both materials are brittle and mechanically stable. The thermodynamic results indicate that both materials may performas hydrogen fuel cells and in reversible hydrogen storage applications. The computed hydrogen storage capacities for NaYRuH6 and KYRuH6 are 2.76 wt% and 2.57 wt%, respectively. All our results suggest that both materials are suitable for use in photoelectronic devices as well as hydrogen storage applications.
2026-05
Investigations of the tetragonal phase in NaGeI2F-based mixed perovskite: a first-principles approach
Bulletin of Materials Science (Volume : 49)
In this study, density functional theory (DFT) was employed to investigate the structural, optoelectronic and thermodynamic properties of a novel mixed tetragonal phase structure of NaGeI2F perovskite. According to the electronic properties, the investigated band structure reveals that the structure offers a direct bandgap of ~1.49 eV, consistent with the beginning point of absorption observed in its optical properties. This alignment between computational results and optical analysis emphasizes the reliability of the results, particularly in the absence of theoretical or experimental data for comparison with this novel compound. The optical properties were further analysed, including the real part of the dielectric constant, refractive index, reflectivity, loss functions, extinction coefficient and absorption coefficient, as functions of energy and wavelength. In addition, mechanical property assessments indicated that the bulk modulus (B) of NaGeI2F increases under applied pressure, suggesting enhanced structural stability at elevated temperatures and compressive conditions. Thermodynamic evaluations, including the calculated Gibbs free energy (G) and entropy (S), provided further insights into the material’s behaviour across varying pressure and temperature regimes. This study highlights the potential of NaGeI2F for technological applications, owing to its high stability and dependable performance under diverse environmental conditions.
2026-03
First-principles evaluation of the structural, electronic, optical, and thermodynamic properties of LiSnI₃ perovskite.
Canadian Journal of Physics
This study presents a comprehensive first-principles (DFT) investigation of the structural, electronic, optical, and thermodynamic properties of the LiSnI3 perovskite. Structural optimization confirms a stable cubic LiSnI3 perovskite phase with a lattice constant of 6.22 Å and a bulk modulus of 16.77 GPa, supported by a negative formation energy (−1.35 eV/atom). Electronic structure calculations show that LiSnI3 is a direct-band-gap semiconductor, with band gaps of 0.33 eV (GGA-PBE) and 0.76 eV (HSE06). The optical properties of LiSnI3 reveal a strong static dielectric response (ε₁ (0) = 8.08), a high refractive index (n (0) = 2.84), and a pronounced absorption edge at 0.81 eV, demonstrating suitability for infrared and UV optoelectronic applications. Thermodynamic results, combined with ab initio molecular dynamics simulations, confirm that the LiSnI3 perovskite remains dynamically and thermally stable across broad pressure and temperature ranges. The combined findings highlight LiSnI3 as a promising lead-free perovskite material for advanced optoelectronic and energy-related applications.
2026-02

2025

Metallic and optoelectronic properties of Rb2AgSnX6 (𝑋=Cl, Br, I) double perovskites for photonic and transparent conductor applications: A DFT study
International Journal of Modern Physics B
Double halide perovskites have obtained significant interest due to their adaptable structural and electronic properties, positioning them as promising candidates for next-generation optoelectronic devices. This study investigates the structure and electronic properties of Rb2AgSnX6 (where 𝑋=Cl, Br, I) double halide perovskites using density functional theory (DFT). The analysis reveals that these structures exhibit metallic properties, indicating their suitability for various applications. Furthermore, the structural analysis demonstrates that these compounds are stable, characterized by strong lattice dynamics and minimal energy requirements for their formation. The optical properties of the double perovskites are examined using density functional perturbation theory (DFPT). Our results suggest that these perovskite structures exhibit limited interaction with electromagnetic radiation at higher photon energies while showing significant responsiveness at lower photon energy levels. In addition, we employed ab initio molecular dynamics (AIMD) simulations to determine how stable the Rb2AgSnX6 (𝑋=Br, Cl, I) structures are at different temperatures. The results confirm that all compounds maintain structural integrity throughout the simulation, reinforcing their dynamic stability. The obtained results highlight the viability of Rb2AgSnX6 as an environmentally friendly alternative to Pb-based perovskites, providing invaluable information for the future design and optimization of energy and electronic devices.
2025-12
Computational assessment of novel KBaMH6 (M = Co, Rh, Ir) complex hydrides for hydrogen storage applications: A DFT and AIMD insight
International Journal of Hydrogen Energy
The global attempts of clean and sustainable energy solutions have strengthened the search for desirable and efficient materials for hydrogen storage. From this perspective, complex hydrides have recently emerged as suggesting candidates due to their tunable physical properties and high hydrogen content. The current study offers a computational investigation of a novel class of quaternary complex hydrides, KBaMH6 (M = Co, Rh, Ir), using density functional theory (DFT). The Structural stability of the studied materials was confirmed through phonon dispersion analysis, revealing dynamically stable cubic phases for all three compositions. Furthermore, AIMD simulations at elevated temperatures confirmed the thermal robustness of the compounds, highlighting their structural integrity during hydrogen cycling. Electronic structure analysis of KBaMH6 indicates the semiconducting nature with an indirect band gap. The optical properties of the investigated structures reveals that the hydrides strongly absorb ultraviolet (UV) light, with a obvious red shift in the absorption edge due to changes in the band gap. The computed hydrogen storage capacities for KBaCoH6, KBaRhH6, and KBaIrH6 are 2.51, 2.12, and 1.61 wt%, respectively. The results suggest that KBaMH6 hydrides, particularly with transition metals Co, Rh and Ir, represent potential candidates for next-generation solid-state hydrogen storage systems.
2025-11
Exploration of Lead-Free Rb₂InGeX₆ Double Perovskites: Correlating Halide Substitution with Electronic, Optical, and Thermoelectric Performance
Physica Scripta (Issue : 9) (Volume : 100)
Density functional theory (DFT) was used to investigate the structural, electronic, optical, and thermodynamic properties of the double perovskite Rb₂InGeX₆ (X = Cl, Br, I). The performed calculations reveal that the three investigated structures have semi-metallic behavior defined by valence band crossings at the Fermi level, with band gaps ranging from Rb₂InGeCl₆ > Rb₂InGeBr₆ > Rb₂InGeI₆. The Fermi level's Ge-P, In-P, and halide-P orbitals significantly influence the conductivity of the materials. The density of states (DOS) investigations emphasize the role of individual atomic orbitals in shaping the electronic structure. The analyzed optical properties of Rb₂InGeX₆ (X = Cl, Br, I) show different light-matter interaction properties: Rb₂InGeBr₆ shows notable transparency in the infrared-visible spectrum (IR), while Rb₂InGeCl₆ shows strong absorption in the visible-UV range. Whereas Rb₂InGeCl₆ is appropriate for UV photodetectors and light-harvesting technologies, the computed refractive index and reflectivity verify the fit of Rb₂InGeBr₆ for IR photodetectors and optoelectronic devices. Furthermore, the thermodynamic calculations over a wide range of temperatures show that halide substitution significantly affects the thermoelectric properties. Rb₂InGeBr₆ exhibits n-type conduction with an enhanced absolute Seebeck coefficient and better power factor; Rb₂InGeCl₆ and Rb₂InGeI₆ present p-type behavior with more modest thermoelectric performance. The obtained results offer a complete understanding and a new perspective on the tunability of Rb₂InGeX₆ perovskites for next-generation optoelectronic, photovoltaic, and energy harvesting uses.
2025-09
A DFT study on cubic NaInBr3 perovskite: insights into structural stability, electronic behavior, and optical performance
Physica Scripta (Issue : 10) (Volume : 100)
This work presents a first-principles investigation of cubic NaInBr₃ perovskite using density functional theory (DFT) within the generalized gradient approximation (GGA). The Structural optimization of the perovskite confirms its mechanical stability, yielding a lattice constant of 5.75 Å and a bulk modulus of 18.41 GPa, indicating that the compound is mechanically soft. The electronic band structure reveals a direct band gap of ~0.4 eV at the R point, highlighting its semiconducting nature and potential for optoelectronic applications. The density of states (DOS) shows dominant contributions from Br-4p and In-5p orbitals in the valence and conduction bands, respectively. Optical property calculations indicate a moderate static dielectric constant (ε₁ (0) = 3.53), a high absorption coefficient (1.32 × 10⁸ cm⁻¹), and pronounced plasmonic responses, suggesting potential applications in ultraviolet photodetectors, photovoltaics, and plasmonic devices. Thermodynamic analysis demonstrates structural and thermal stability across a broad pressure range, as evidenced by increasing Debye temperature, entropy, and specific heats, along with decreasing Gibbs and vibrational free energies. The obtained results of the study establish NaInBr₃ as a promising candidate for thermoelectric, ultraviolet optoelectronic, and high-temperature energy applications.
2025-09
The Structural, Electronic, and Optical Properties of the Tetragonal RbGeA₂X (A = Br & Cl; X = Br & I) Lead-Free Mixed Halide Perovskites for Ultraviolet Optoelectronic Applications
Transactions on Electrical and Electronic Materials
This study investigates the structural, electronic, and optical properties of tetragonal-phase RbGeA2X (A = Br, Cl; X = Br, I) lead-free mixed halide perovskites using density functional theory (DFT) with PBE-GGA for exchange-correlation energy. These perovskites show enhanced properties, including high charge carrier mobility, tunable direct band gaps, and strong ultra-violet (UV) absorption. Band structure and density of states (DOS) analyses highlight their suitability for optoelectronic applications. Optical studies of the dielectric function and absorption coefficient of the studied structures confirm their ability to absorb electromagnetic radiation beyond the visible spectrum, making them promising candidates for advanced (UV)-range optoelectronic devices.
2025-04
Pressure dependence of the structural and optoelectronic properties of Pb-free perovskites LiSnX3 (X = Br and Cl): A DFT approach
PLOS ONE (Issue : 2) (Volume : 20)
In this study, the structural, electronic and optical properties of cubic lead-free halide perovskites LiSnX₃ (X = Br and Cl) under hydrostatic pressure are investigated. The first-principle approach based on density functional theory (DFT) is employed. The exchange-correlation functional is treated using the generalized gradient approximation (GGA), specifically a variant of the Perdew–Burke–Ernzerhof (PBE) method. The aim of the study is to understand the effect of pressure on the properties of LiSnX₃ (X = Br and Cl), with a maximum pressure limit of 6 GPa. The results show a decreasing tendency in the energy band gap as pressure increases. In addition, a prominent reduction in the energy band gap is observed when the halogen atom is changed from Cl to Br under constant pressure. The calculations also investigate the density of states (DOS), showing variations in energy levels near the Fermi level under different pressures. For optical properties, density functional perturbation theory (DFPT) is used in conjunction with the Kramers-Kronig relation. Optical parameters such as the real and imaginary parts of the dielectric constant, refractive index, absorption coefficient, and wavelength are computed under different pressures to understand the optical response of the perovskites to the electromagnetic spectrum. The insights from this study highlight the fundamental properties of LiSnX₃ (X = Br and Cl) under different pressures, which could influence advancements in optoelectronic devices, photonic applications, and solar cell technologies. Moreover, this research contributes to the growing body of knowledge on lead-free halide perovskites, encouraging further developments in the field.
2025-02

2024

Theoretical calculations of the properties of the binary compound semiconductor GaSb
Semiconductor Physics, Quantum Electronics & Optoelectronics (Issue : 4) (Volume : 27)
Pseudopotentials and density functional theory (DFT) implemented in the ABINIT code were used to study the properties of the GaSb cubic alloy zinc-blende structure. Both the local density approximation and the generalized gradient approximation were used for the exchange-correlation (XC) potential calculation. The calculated lattice parameter aligns well with available experimental and theoretical results. Elastic constants, Young’s modulus, shear modulus, and anisotropy factor were determined, and the pressure dependence of elastic constants was investigated. Band gaps were initially calculated but showed discrepancies with experimental values due to the known band gap problem of DFT. To enhance accuracy, the Green function and screened Coulomb interaction approximation were introduced. The impact of thermal effects on compound properties was investigated using the quasi-harmonic Debye model, presenting variations in volume, heat capacities, thermal expansion coefficient, and Debye temperature concerning pressure and temperature.
2024-12
A DFT approach on the investigations of the structural and optoelectronic properties of lead-free and Ge-based mixed halide perovskites RbGeBr2Cl and RbGeI2Cl
Indian Journal of Physics (Issue : 11) (Volume : 98)
In this study, the structural, electronic and optical properties of the tetragonal-phase of the free-lead mixed halides perovskites RbGeI2Cl and RbGeBr2Cl are investigated. These materials have raised an interest due to their enhanced electronic and optical properties, demonstrated by high charge carrier mobility and adjustable band gap. The calculations employed ab-initio methods, predominantly based on the density functional theory (DFT), the exchange– correlation functional is processed with the generalized gradient approximation (GGA) approach which uses a ‘flavour’ of the Perdew Burke Ernzerhof (PBE). The DFT framework allows to study the structural parameters, band structure, and density of states (DOS). The calculations of the band structure show that RbGeI2Cl and RbGeBr2Cl have a direct band gap. In addition, the dielectric function and absorption coefficient as part of the investigation into the optical properties of these perovskites are calculated. The obtained results suggest that the two studied mixed halide perovskites have the capability to absorb electromagnetic radiation outside the visible spectrum, making them a promising candidate for potential uses in optoelectronic applications within the ultraviolet (UV) range.
2024-07

2022

First-principles study of structural, electronic, elastic and optical properties of alkali lead iodides MPbI3 (M = Li, Na, K)
Ukrainian Journal of Physical Optics (Issue : 1) (Volume : 23)
Inorganic halide-based perovskites are of great interest as materials for photo-voltaic and optoelectronic devices. Here we present a first-principles study of the structural, electronic, elastic and optical properties of alkali-metal lead iodides MPbI3 (M = Li, Na, K), with the emphasis on the role of their first cation M. In particular, this work is the first investigation of the elastic and optical properties of MPbI3 (M = Na, K). Our results show that the first cation has insignificant effect on the properties mentioned above, although there is some increase in the lattice constant when we pass from Li to Na. The energy band gap values calculated for our perovskites in a generalized gradient approximation agree with the available theoretical data but not with the experimental results. A better agreement with the experiment can be achieved with the approaches of Green’s function and screened Coulomb interaction approximation. We demonstrate that our compounds have a direct band gap. The optical properties of MPbI3 are calculated using a density-functional perturbation theory. Our data shows that MPbI3 (M = Na, K) have a weak response to electromagnetic radiation at high photon energies and a strong response at low energies.
2022-12

2016

How the Size of a Meteorite and Asteroid on the Moon and Planets is Related to the Size of the Crater
International Journal of Astronomy (Issue : 2169) (Volume : 5)
Craters occur when an objects like Asteroids, Comets and Meteorites hits onto the surfaces of Moon and Planets and their impact has became a major geological process. The objective of the project is to investigate how the size of a Meteorite and Asteroid on the Moon and Planets is related to the size of impact crater. We started with a two round stone of different mass and size covered slightly with a layer of a viscous mud fluid as a fragmentation were dropped at variable height onto the flour. However, we have used a layer of sprinkles as a mineral diversity of the surface impacted. We have measured the diameter, depth and the Ejecta distance of the crater each time, there were three trails for each stone drop height. The results shows that, the crater diameter and the crater depth increased as the height and mass of the ball drop increased in addition of increasing Ejecta distance. .
2016-06

2023

First Principal Calculations to investigate the Structural, Elastic, Electronic and Optical Properties of Alkali Lead Iodides APbI3 (A = Li, Na and K)
PhD Thesis
2023-01-03

2013

Optics of Atomically Thin Molybdenum Disulphide (MoS2)
Dissertation submitted as part requirement for the degree of MSc in Nanoscale Science and Technology
2013-09-06

2026

Track Chair
1st International Conference on Artificial Intelligence In Engineering and Applied Science (ICAIEAS 2026)
The Track Chair at the 1st International Conference on Artificial Intelligence In Engineering and Applied Science (ICAIEAS 2026), In this role, I am responsible for overseeing the academic quality and organization of the assigned conference track. My duties included coordinating the peer-review process, selecting qualified reviewers, evaluating submitted manuscripts, and making recommendations regarding paper acceptance.
2026-06

2025

TPC Chair
5th International Conference on Advanced Science and Engineering (ICOASE) 2025
I served as a Track Chair at the 5th International Conference on Advanced Science and Engineering (ICOASE 2025), which was held on 24–25 September 2025. In this role, I was responsible for overseeing the academic quality and organization of the assigned conference track. My duties included coordinating the peer-review process, selecting qualified reviewers, evaluating submitted manuscripts, and making recommendations regarding paper acceptance. I also contributed to structuring technical sessions and facilitating scholarly discussions during the conference. This role supported the successful delivery of ICOASE 2025 and promoted high-quality research exchange among international participants in advanced science and engineering disciplines.
2025-09

2026

Metallic and optoelectronic properties of Rb2AgSnX6 (𝑋=Cl, Br, I) double perovskites.
Zakho University, College of Science, Department of Physics.
A first-principles investigation of lead-free double perovskites Rb₂AgSnX₆ (X = Cl, Br, I) as alternatives to toxic Pb-based materials was presented. Structural analysis confirms stable cubic phases, while electronic calculations reveal intrinsic metallic behavior without external doping. Optical tunability and ab initio molecular dynamics simulations demonstrate strong thermal stability, highlighting their potential for transparent conducting and photonic applications.
2026-02

2024

Lead-Free and Ge-Based Mixed Halide Perovskites
Zakho University, College of Science, Department of Physics
The presentation was on my recent pulished paper under the title (A DFT approach on the investigations of the structural and optoelectronic properties of lead-free and Ge-based mixed halide perovskites RbGeBr2Cl and RbGeI2Cl)
2024-11
Pressure Dependence of Pb-free Perovskite LiSnCl3
Oldenburg University, Department of Physics, Germany,
The study employs state-of-the-art DFT methods to model the structural, electronic, and optical properties of LiSnCl3 under pressure.
2024-08

2023

Object Oriented Micro Magnetic Framework (OOMMF)
Zakho University, College of Science, Department of Physics
The presentation was on a software called OOMMF used for stimulation
2023-11

2024

Nanophotonics
Oldenburg University, Germany
This workshop was designed to introduce participants to the exciting and rapidly evolving field of nanophotonics. Nanophotonics is the study of the behavior of light on the nanometer scale, and its interaction with nanostructures. The workshop covered both theoretical foundations and practical applications, providing participants with a solid understanding of how light manipulation at the nanoscale is revolutionizing technology in fields like communication, imaging, and sensing.
2024-08

2019

Nanoscale Science and technology
Erbil
The workshop was on the recent development of Nanoscale Science
2019-04
Quantum Computation
Salahaddin University
The workshop was on a sofware used in calculation of materials properties
2019-04

2018

Participator
IELTS improvement
2018-06-06,2018-08-07

2015

Participator
Teaching Method
2015-09-15,2015-09-15