First principle study of electronic, mechanical, optical and thermoelectric properties of CsMO3 (M = Ta, Nb) compounds for optoelectronic devices
Sabir, B., Murtaza, G., Arif Khalil, R.M., Mahmood, Qasim
Published in Journal of molecular graphics & modelling (01.01.2019)
Published in Journal of molecular graphics & modelling (01.01.2019)
Get full text
Journal Article
First principles study of the structural, half-metallic ferromagnetism, magnetic, and transport properties of KXO2 (X = Pr, Nd, and Pm) hexagonal oxides
Tariq, Bisma, Murtaza, G., Ali, Hassan, Razzaq, Samia, Arif Khalil, R.M., Iqbal Hussain, Muhammad, Ismail, Khawar, Nazir, Ghazanfar, Alotaibi, Nouf H.
Published in Solid state communications (15.09.2023)
Published in Solid state communications (15.09.2023)
Get full text
Journal Article
Structural, magnetic and spectral properties of Gd and Dy co-doped dielectrically modified Co-Ni (Ni0.4Co0.6Fe2O4) ferrites
Ditta, Allah, Khan, Muhammad Azhar, Junaid, Muhammad, Khalil, R.M. Arif, Warsi, Muhammad Farooq
Published in Physica. B, Condensed matter (15.02.2017)
Published in Physica. B, Condensed matter (15.02.2017)
Get full text
Journal Article
First principles investigation of physically conductive bridge filament formation of aluminum doped perovskite materials for neuromorphic memristive applications
Alsuwian, Turki, Kousar, Farhana, Rasheed, Umbreen, Imran, Muhammad, Hussain, Fayyaz, Arif Khalil, R.M., Algadi, Hassan, Batool, Najaf, Khera, Ejaz Ahmad, Kiran, Saira, Ashiq, Muhammad Naeem
Published in Chaos, solitons and fractals (01.09.2021)
Published in Chaos, solitons and fractals (01.09.2021)
Get full text
Journal Article
Ab-initio study of the structural, optoelectronic, magnetic, hydrogen storage properties and mechanical behavior of novel combinations of hydride perovskites LiXH3 (X = Cr, Fe, Co, & Zn) for hydrogen storage applications
Hayat, Shafqat, Arif Khalil, R. M., Hussain, Muhammad Iqbal, Rana, A. M., Hussain, Fayyaz
Published in Journal of computational electronics (01.12.2021)
Published in Journal of computational electronics (01.12.2021)
Get full text
Journal Article
The exploration of physical properties of 2D MXenes M3N2 (M= Ti, Hf, Zr, Mo) through the first principles approach: The energy harvesting materials
Arif Khalil, R.M., Iqbal Hussain, Muhammad, Hussain Shah, Mushahid, Al-Muhimeed, Tahani I., Nazir, Ghazanfar, Hussain, Fayyaz, Mumtaz, Umair
Published in Computational materials science (01.04.2024)
Published in Computational materials science (01.04.2024)
Get full text
Journal Article
First-Principles prediction of the structural stability, optoelectronic, magnetic properties and mechanical response of olivine type LiMPO4 (M = Ni, Cu) phosphate materials for energy storage applications
Hussain Shah, Mushahid, Arif Khalil, R.M., Usman, Muhammad, Iqbal Hussain, Muhammad, Hussain, Fayyaz, Albaqami, Munirah D., Mohammad, Saikh, Abdul Nasir, Jamal
Published in Computational and theoretical chemistry (01.05.2024)
Published in Computational and theoretical chemistry (01.05.2024)
Get full text
Journal Article
Ultraviolet active novel chalcogenides BAlTe2 (B = Rb, Cs): the structural, optoelectronic, mechanical, and vibrational properties for energy harvesting applications through first principles approach
Fatima, Rabail, Khalil, R M Arif, Hussain, Muhammad Iqbal, Hussain, Fayyaz
Published in Optical materials express (01.03.2024)
Published in Optical materials express (01.03.2024)
Get full text
Journal Article
First-Principles Simulation of Structural, Electronic and Optical Properties of Cerium Trisulfide (Ce2S3) Compound
Arif Khalil, R. M., Hussain, Muhammad Iqbal, Imran, Muhammad, Hussain, Fayyaz, Saeed, Nyla, Murtaza, G., Rana, Anwar Manzoor, Mahata, Chandreswar
Published in Journal of electronic materials (01.04.2021)
Published in Journal of electronic materials (01.04.2021)
Get full text
Journal Article
Exploration of the structural, optoelectronic, magnetic, elastic, vibrational, and thermodynamic properties of molybdenum-based chalcogenides A2MoSe4 (A =Li, K) for photovoltaics and spintronics applications: a first-principle study
Ali, Muhammad, Khalil, R.M. Arif, Hussain, Muhammad Iqbal, Hussain, Fayyaz
Published in Journal of molecular modeling (01.11.2023)
Published in Journal of molecular modeling (01.11.2023)
Get full text
Journal Article
DFT based first principles study of novel combinations of perovskite‐type hydrides XGaH3 (X = Rb, Cs, Fr) for hydrogen storage applications
Khalil, R. M. Arif, Hayat, Shafqat, Hussain, Muhammad Iqbal, Rana, Anwar Manzoor, Hussain, Fayyaz
Published in AIP advances (01.02.2021)
Published in AIP advances (01.02.2021)
Get full text
Journal Article
The prediction of structural, electronic, optical and vibrational behavior of ThS2 for nuclear fuel applications: a DFT study
Arif Khalil, R. M., Hussain, Muhammad Iqbal, Saeed, Nyla, Rana, Anwar Manzoor, Hussain, Fayyaz
Published in Optical and quantum electronics (2021)
Published in Optical and quantum electronics (2021)
Get full text
Journal Article
First principle study of structural, electronic, optical, and transport properties of ternary compounds NaGaX2 (X = S, Se, and Te) in tetragonal chalcopyrite phase
Yaseen, Muhammad Shahzad, Murtaza, G., Arif Khalil, R. M.
Published in Optical and quantum electronics (01.11.2019)
Published in Optical and quantum electronics (01.11.2019)
Get full text
Journal Article
Investigations of structural, electronic and optical properties of TM-GaO3 (TM = Sc, Ti, Ag) perovskite oxides for optoelectronic applications: a first principles study
Hussain, Muhammad Iqbal, Khalil, R M Arif, Hussain, Fayyaz, Imran, Muhammad, Rana, Anwar Manzoor, Kim, Sungjun
Published in Materials research express (01.01.2020)
Published in Materials research express (01.01.2020)
Get full text
Journal Article
The structural, electronic and dynamical investigations of NdMn2O5 and La2CoMnO6 for optoelectronic applications: A first principles study
Hussain, Muhammad Iqbal, Arif Khalil, R.M., Boota, Saima, Hussain, Fayyaz, Imran, Muhammad, Murtaza, G., Rana, Anwar Manzoor, Sattar, M.A.
Published in Optik (Stuttgart) (01.02.2020)
Published in Optik (Stuttgart) (01.02.2020)
Get full text
Journal Article
Probing the structural, electronic, mechanical strength and optical properties of tantalum-based oxide perovskites ATaO3 (A = Rb, Fr) for optoelectronic applications: First-principles investigations
Hussain, Muhammad Iqbal, Arif Khalil, R.M., Hussain, Fayyaz, Rana, A. Manzoor, Murtaza, G., Imran, M.
Published in Optik (Stuttgart) (01.10.2020)
Published in Optik (Stuttgart) (01.10.2020)
Get full text
Journal Article
Structural, electronic and optical properties of transition metal doped Hf1-xTMxO2 (TM = Co, Ni and Zn) using modified TB-mBJ potential for optoelectronic memristors devices
Khera, Ejaz Ahmad, Ullah, Hafeez, Imran, Muhammad, Niaz, N.A., Hussain, Fayyaz, Arif Khalil, R.M., Rasheed, Umbreen, Atif Sattar, M., Iqbal, Fasial, Mahta, Chandreswar, Rana, Anwar Manzoor, Kim, Sungjun
Published in Optik (Stuttgart) (01.06.2020)
Published in Optik (Stuttgart) (01.06.2020)
Get full text
Journal Article
Dynamic characterization of Cu–Zr binary bulk metallic glasses: A molecular dynamics study
Imran, Muhammad, Hussain, Fayyaz, Altaf, Saba, Rehman, Abdul, Javid, M. Arshad, Ismail, Muhammad, Rashid, Muhammad, Arif Khalil, R.M, Sattar, Abdul, Ahmad, S.A
Published in Canadian journal of physics (01.12.2017)
Published in Canadian journal of physics (01.12.2017)
Get full text
Journal Article