1. Shah, S.H., W. Khan, A. Laref and G. Murtaza, 2019. Effects of anion replacement on the physical properties of CaCd₂X₂ (X= P, As, Sb, Bi). J. Phys. Chem. Solids, 127: 81-87.
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2. Yousaf, N., W. Khan, S.H. Khan, M. Yaseen, A. Laref and G. Murtaza, 2018. Electronic, optical and thermoelectric properties of SnGa₂GeX₆ (X = S, Se) compounds. J. Alloys Compounds, 737: 637-645.
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3. Yousaf, M., J. Munir, M.A. Saeed and G. Murtaza, 2018. Layer-sliding-mediated controlled tuning of physical properties of intercalated silicene/hBN heterostructure. Mater. Res. Express, Vol. 4. .
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4. Wong, K.M., W. Khan, M. Shoaib, U. Shah, S.H. Khan and G. Murtaza, 2018. Ab initio investigation of the structural, electronic and optical properties of the Li₂ In₂ XY₆ (X= Si, Ge; Y= S, Se) compounds. J. Elect. Mater., 47: 566-576.
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5. Ullah, M., G. Murtaza and A. Laref, 2018. Electronic band profiles and optical response of Cd₃Y₂ (Y = N, P and As) compounds. J. Phys. Chem. Solids, 119: 157-165.
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6. Shah, S.H., S.H. Khan, A. Laref and G. Murtaza, 2018. Optoelectronic and transport properties of LiBZ (B = Al, In, Ga and Z = Si, Ge, Sn) semiconductors. J. Solid State Chem., 258: 800-808.
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7. Murtaza, G., N. Yousaf, M. Yaseen, A. Laref and S. Azam, 2018. Systematic studies of the structural and optoelectronic characteristics of CaZn₂X₂M (X = N, P, As, Sb, Bi). Mater. Res. Express, Vol. 5. .
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8. Murtaza, G., N. Yousaf, A. Laref and M. Yaseen, 2018. Effect of varying pnictogen elements (Pn = N, P, As, Sb, Bi) on the optoelectronic properties of SrZn₂Pn₂. Zeitschrift Naturforschung A, 73: 285-293.
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9. Murtaza, G., A.A. Khan, M. Yaseen, A. Laref, N. Ullah and I. ur Rahman, 2018. The effect of replacing pnictogen elements on the physical properties SrMg₂ X₂ (X + N, P, As, Sb, Bi) Zintl compounds. Chinese Phys. B, Vol. 27. 10.1088/1674-1056/27/4/047102.
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10. Monir, M.E.A., H. Baltach, Y. Mouchaal and G. Murtaza, 2018. The effects of Ru and Rh substitutions on the magneto-electronic and optical properties of the TbNi₅ intermetallic compound: An ab initio investigation. J. Superconduct. Novel Magnet., 31: 547-559.
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11. Khan, A.A., M. Yaseen, A. Laref and G. Murtaza, 2018. Impact of anion replacement on the optoelectronic and thermoelectric properties of CaMg₂X₂, X=(N, P, As, Sb, Bi) compounds. Physica B: Condensed Matter, 541: 24-31.
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12. Khan, A.A., A.U. Rehman, A. Laref, M. Yousaf and G. Murtaza, 2018. Structural, optoelectronic and thermoelectric properties of ternary CaBe₂X₂ (X= N, P, As, Sb, Bi) compounds. Zeitschrift Naturforschung A, 73: 965-973.
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13. Khan, A., M. Sajjad, G. Murtaza and A. Laref, 2018. Anion-cation replacement effect on the structural and optoelectronic properties of the LiMX2 (M= Al, Ga, In; X= S, Se, Te) Compounds: A first principles study. Zeitschrift Naturforschung A, 73: 645-655.
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14. Faizan, M., S.H. Khan, A. Khan, A. Laref and G. Murtaza, 2018. Ab-initio prediction of structural, electronic and magnetic properties of Hexafluoromanganete (IV) complexes. Int. J. Modern Phys. B, Vol. 32. 10.1142/S0217979218502703.
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15. Usman, T., G. Murtaza, H. Luo and A. Mahmood, 2017. GGA and GGA+ U study of rare earth-based perovskites in cubic phase. J. Superconduct. Novel Magnet., 30: 1389-1396.
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16. Ullah, M., G. Murtaza, S.M. Ramay and A.M ahmood, 2017. Structural, electronic, optical and thermoelectric properties of Mg3X₂ (X = N, P, As, Sb, Bi) compounds. Mater. Res. Bullet., 91: 22-30.
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17. Shah, S.S.A., A. Khan, S.H. Khan, N. Muhammad, S.A. Khan, M.G. Ashiq and G. Murtaza, 2017. Ab initio study of the electronic and optical properties of Ag₃AuS₂ polymorphs. Mater. Res. Express, Vol. 4. 10.1088/2053-1591/aa817a.
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18. Mehmood, N., R. Ahmad and G. Murtaza, 2017. Ab initio investigations of structural, elastic, mechanical, electronic, magnetic and optical properties of half-Heusler compounds RhCrZ (Z = Si, Ge). J. Superconduct. Novel Magnet., 30: 2481-2488.
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19. Khan, S.A., , S. Azam, M.B. Kanoun, G. Murtaza, M. Rani and S. Goumri-Said, 2017. Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet. Cogent. Physi., Vol. 4. 10.1080/23311940.2017.1391734.
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20. Basit, A., G. Murtaza, A. Mahmood, S.A. Khan, M. Aneel, A. Yar and K.M. Wong, 2017. Specific features investigation of the AE₂ZnN₂ (AE = Ca, Sr, Ba) compounds from indirect to direct band gap: DFT study. Mater. Sci. Semiconduct. Process., 57: 116-123.
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21. Ali, S., W. Khan, G. Murtaza, M. Yaseen, S.M. Ramay and A. Mahmood, 2017. First principles study of magnetic and electronic properties of A2BB′ O₆ (A= Ba, Sr)(BB′= FeRe, MnMo and MnRe) double perovskites. J. Magnet. Magnet. Mater., 441: 113-123.
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22. Ullah, N., R.Q. Zhang, G. Murtaza, A. Yar and A. Mahmood, 2016. Stacking nature and band gap opening of graphene: Perspective for optoelectronic applications. Solid State Commun., 246: 54-58.
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23. Ullah, N., G. Murtaza, M.A. Iqbal, A. Mahmood and R. Khenata, 2016. Computational study of Cu₂ZnSn (X_{1− x} Te _x)₄ (X = S, Se) for optoelectronic applications. Int. J. Modern Phys. B, Vol. 30. 10.1142/S021797921650137X.
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24. Ullah, I., G. Murtaza, R. Khenata, A. Mahmood, M. Muzzamil, N. Amin and M. Saleh, 2016. Structural and optoelectronic properties of X₃ ZN (X = Ca, Sr, Ba; Z = As, Sb, Bi) anti-perovskite compounds. J. Elect. Mater., 45: 3059-3068.
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25. Seddik, T., G. Ugur, R. Khenata, S. Ugur and F. Soyalp et al., 2016. Optoelectronic and thermoelectric properties of Zintl YLi₃A₂ (A = Sb, Bi) compounds through modified Becke-Johnson potential. Chinese Phys. B, Vol. 25. 10.1088/1674-1056/25/10/107801.
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26. Noor, N.A., M. Rashid, S.M. Alay-e-Abbas, M. Raza, A. Mahmood, S.M. Ramay and G. Murtaza, 2016. Shift of indirect to direct bandgap and thermoelectric response of the cubic BiScO₃ via DFT-mBJ studies. Mater. Sci. Semiconduct. Process., 49: 40-47.
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27. Naeemullah, G. Murtaza, R. Khenata and S. Bin Omran, 2016. Direct band gap nature and optical response of Be_x Mg_y Zn_{1−(x+ y)} Se. Modern Phys. Lett. B, Vol. 30. 10.1142/S021798491650007X.
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28. Murtaza, G., M. Ullah, N. Ullah, M. Rani and M. Muzammil et al., 2016. Structural, elastic, electronic and optical properties of bi-alkali antimonides. Bull. Mater. Sci., 39: 1581-1591.
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29. Monir, M.E.A., H. Baltache, G. Murtaza and A. Mehmood, 2016. First-principles Investigation of half-metallicity and ferrimagnet properties of Co₂ScZ (Z = As, Sb and Bi). J. Superconduct. Novel Magnet., 29: 501-508.
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30. Monir, M.A., H. Baltache, R. Khenata, G. Murtaza and A. Mahmood, 2016. Structural, magnetic and optoelectronic properties of TbNi, TbNiTi and TbNiV Compounds. J. Superconduct. Novel Magnet., 29: 1255-1266.
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31. Khan, W., G. Murtaza, T. Ouahrani, A. Mahmood, R. Khenata, M.E.A. Monir and H. Baltache, 2016. Electronic, bonding, linear and non-linear optical properties of novel Li₂Ga₂GeS₆ compound. J. Alloys Compounds, 674: 109-115.
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32. Hussain, S., G. Murtaza, S.H. Khan, A. Khan and M.A. Ali et al., 2016. First principles study of structural, optoelectronic and thermoelectric properties of Cu₂CdSnX₄ (X = S, Se, Te) chalcogenides. Mater. Res. Bull., 79: 73-83.
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33. Faizan, M., S.H. Khan, G. Murtaza, A. Khan and R. Khenata et al., 2016. Structural, elastic, electronic and magnetic properties of Ba₂XO_sO₆ (X = Li, Na, Ca) double perovskites. Indian J. Phys., 90: 1225-1231.
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34. Faizan, M., G. Murtaza, S.H. Khan, A. Khan, A. Mehmood, R. Khenata and S. Hussain, 2016. First-principles study of the double perovskites Sr₂XO_sO₆ (X = Li, Na, Ca) for spintronics applications. Bull. Mater Sci., 39: 1419-1425.
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35. Faizan, M., G. Murtaza, S. Azam, S.A. Khan, A. Mahmood and A. Yar, 2016. Elastic and optoelectronic properties of novel Ag₃AuSe₂ and Ag₃AuTe₂ semiconductors. Mater. Sci. Semiconduct. Process., 52: 8-15.
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36. El Amine Monir, M., H. Baltache, R. Khenata, G. Murtaza and R. Ahmed et al., 2016. Half-metallicity and optoelectronic properties of V-doped zincblende ZnS and CdS alloys. Int. J. Modern Phys. B, Vol. 30. 10.1142/S021797921650034X.
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37. Dahmane, F., Y. Mogulkoc, B. Doumi, A. Tadjer and R. Khenata et al., 2016. Structural, electronic and magnetic properties of Fe₂-based full Heusler alloys: A first principle study. J. Magnet. Magnet. Mater., 407: 167-174.
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38. Chiker, F., F. Boukabrine, H. Khachai, R. Khenata and C. Mathieu et al., 2016. Investigating the structural, thermal and electronic properties of the zircon-type ZrSiO₄, ZrGeO₄ and HfSiO₄ compounds. J. Elect. Mater., 45: 5811-5821.
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39. Bendjedid, A., H. Baltache, T. Ouahrani, R. Khenata and G. Murtaza et al., 2016. Structural, electronic, bonding and thermo-elastic properties of orthorhombic and cubic CeO₂ compound. Chin. J. Phys., 54: 1-11.
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40. Behram, R.B., M.A. Iqbal, S.M. Alay-e-Abbas, M. Sajjad, M. Yaseen, M.I. Arshad and G. Murtaza, 2016. Theoretical investigation of mechanical, optoelectronic and thermoelectric properties of BiGaO₃ and BiInO₃ compounds. Mater. Sci. Semiconduct. Process., 41: 297-303.
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41. Basit, A., S.A. Khan, G. Murtaza, A. Mehmood, R. Khenata, S.B. Omran and M. Yaseen, 2016. Electronic, optical and thermoelectric properties of XNMg₃ (X = P, As, Sb, Bi) compounds. Mater. Sci. Semiconduct. Process., 43: 69-74.
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42. Basit, A., G. Murtaza, A. Mahmood, A. Yar and S. Muhammad, 2016. Structural, optoelectronic and thermoelectric properties of AZn₁₃ (A = Na, K, Ca, Sr, Ba) compounds. Int. J. Modern Phys., B, Vol. 30. 10.1142/S0217979216502210.
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43. Baki, N., R.D. Eithiraj, H. Khachai, R. Khenata and G. Murtaza et al., 2016. Elastic, electronic, optical and thermal properties of Na₂ Po: An Ab Initio study. J. Elect. Mater., 45: 435-443.
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44. Arif, M., G. Murtaza, R. Ali, R. Khenata, Y. Takagiwa, M. Muzammil and S.B. Omran, 2016. Elastic and electro-optical properties of XYZ (X = Li, Na and K; Y = Mg; Z = N, P, As, Sb and Bi) compounds. Indian J. Phys., 90: 639-647.
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45. Abid, O.M., S. Menouer, A. Yakoubi, H. Khachai and S.B. Omran et al., 2016. Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M = Fe, Ru, Os) compounds with first principle calculations. Superlattices Microstruct., 93: 171-185.
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46. Yousaf, M., S.A. Dalhatu, G. Murtaza, R. Khenata and M. Sajjad et al., 2015. Optoelectronic properties of XIn₂S₄ (X= Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations. J. Alloys Compounds, 625: 182-187.
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47. Ullah, N., H. Ullah, G. Murtaza, R. Khenata and S. Ali, 2015. Structural phase transition and optoelectronic properties of ZnS under pressure. J. Opt. Adv. Mater, 17: 1272-1277.
48. Ullah, M., S.A. Khan, G. Murtaza, R. Khenata, N. Ullah and S.B. Omran, 2015. Electronic, thermoelectric and magnetic properties of La₂NiMnO₆ and La₂CoMnO₆. J. Magnet. Magnet. Mater., 377: 197-203.
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49. Ullah, H., G. Murtaza, R. Khenata, S. Mohammad and A. Manzar et al., 2015. Mechanical, electronic and magnetic properties of Sm-based perovskite-type oxides SmMO₃ (M = V, Fe and Co): An Ab initio study. Indian J. Phys., 89: 1133-1142.
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50. Murtaza, G., N. Ullah, A. Rauf, R. Khenata, S.B. Omran, M. Sajjad and A. Waheed, 2015. First principles study of structural, optical and electronic properties of zinc mercury chalcogenides. Mater. Sci. Semiconduct. Process., 30: 462-468.
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51. Murtaza, G., A. Sajid, M. Rizwan, Y. Takagiwa and H. Khachai et al., 2015. First principles study of Mg₂X (X = Si, Ge, Sn, Pb): Elastic, optoelectronic and thermoelectric properties. Mater. Sci. Semiconduct. Process., 40: 429-435.
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52. Moussa, R., A. Abdiche, R. Khenata, D.P. Rai and W.K. Ahmed et al., 2015. Studying structural, electronic and optical properties of zinc-blende Ga_1-x Al_x P at normal and under pressure by means of first principle. Mater. Res. Express, Vol. 2. 10.1088/2053-1591/2/10/105904.
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53. Moussa, R., A. Abdiche, B. Abbar, M. Guemou and R. Riane et al., 2015. Ab initio investigation of the structural, electronic and optical properties of cubic GaAs_1-xP_x ternary alloys under hydrostatic pressure. J. Elect. Mater., 44: 4684-4699.
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54. Monir, M.E.A., R. Khenata, H. Baltache, G. Murtaza and M.S. Abu-Jafar et al., 2015. Study of structural, electronic and magnetic properties of CoFeIn and Co₂FeIn Heusler alloys. J. Magnet. Magnet. Mater., 394: 404-409.
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55. Monir, M.E.A., R. Khenata, G. Murtaza, H. Baltache and A. Bouhemadou et al., 2015. Half-metallic ferromagnetism in Be_1-xV_xTe alloys: An Ab-initio study. Indian J. Phys., 89: 1251-1263.
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56. Monir, M.E.A., H. Baltache, R. Khenata, G. Murtaza and S. Azam et al., 2015. First-principles calculations of a half-metallic ferromagnet zinc blende Zn_1-xV_xTe. J. Magnet. Magnet. Mater., 378: 41-49.
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57. Louhab, H., A. Yakoubi, H. Khachai, O.M. Abid and R. Khenata et al., 2015. First-principles study of structural, electronic, elastic and thermal properties of intermetallic ternary compounds (RMn₂Si₂: R = Ce and Nd). Mater. Sci. Semiconduct. Process., 38: 31-40.
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58. Khalfa, M., H. Khachai, F. Chiker, N. Baki and K. Bougherara et al., 2015. Mechanical, electronic and thermodynamic properties of full Heusler compounds Fe₂VX (X = Al, Ga). Int. J. Modern Phys. B, Vol. 29. 10.1142/S021797921550229X.
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59. Harmel, M., H. Khachai, A. Haddou, R. Khenata and G. Murtaza et al., 2015. Ab initio study of the mechanical, thermal and optoelectronic properties of the cubic CsBaF₃. Acta Phys. Pol., 128: 34-42.
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60. Hafeez, R., G. Murtaza, R. Khenata, K. Wong and S. Naeem et al., 2015. Structural, chemical bonding, electronic and magnetic properties of XY₃ (X = Al, Ga and Y = V, Nb, Cr, Mo) compounds. Acta Phys. Polonica A, 127: 770-779.
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61. Haddou, A., G. Murtaza, H. Khachai, R. Khenata and S. Bin Omran et al., 2015. Structural, elastic, electronic optical and thermodynamic properties of ZnAl₂S₄. Int. J. Thermophys., 36: 2940-2952.
62. Fahad, S., G. Murtaza, T. Ouahrani, R. Khenata, M. Yousaf, S.B. Omran and S. Mohammad, 2015. Structural, elastic, electronic, bonding and optical properties of BeAZ2 (A = Si, Ge, Sn; Z = P, As) chalcopyrites. J. Alloys Compounds, 646: 211-222.
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63. Elahmar, M.H., H. Rached, D. Rached, R. Khenata, G. Murtaza, S.B. Omran and W.K. Ahmed, 2015. Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z = Si, As, Sb): A first-principle study. J. Magnet. Magnet. Mater., 293: 165-174.
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64. El-Kelma, R.Z., L. Beldi, F. El Haj Hassan, G. Murtaza and R. Khenata et al., 2015. Magnetic ordering and electronic structure of the ternary iron arsenide BaFe₂As₂. Int. J. Modern Phys. B, Vol. 29. 10.1142/S0217979215501829.
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65. Djied, A., T. Seddik, O. Merabiha, G. Murtaza and R. Khenata et al., 2015. Structural phase transition and opto-electronic properties of NaZnAs. J. Alloys Compounds, 622: 812-818.
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66. Benkaddour, I., H. Khachai, F. Chiker, N. Benosman and Y. Benkaddour et al., 2015. Ab initio study of the structural, electronic and thermal properties of BaS_1-xTe_x alloy. Int. J. Thermophys., 36: 1640-1653.
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67. Bendjedid, A., T. Seddik, R. Khenata, H. Baltache and G. Murtaza et al., 2015. GGA+ U study on phase transition, optoelectronic and magnetic properties of AmO₂ with spin-orbit coupling. J. Magnet. Magnet. Mater., 396: 190-197.
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68. Belkhouane, M., S. Amari, A. Yakoubi, A. Tadjer and S. Mecabih et al., 2015. First-principles study of the electronic and magnetic properties of Fe₂MnAl, Fe₂MnSi and Fe₂MnSi_0.5Al_0.5. J. Magnet. Magnet. Mater., 377: 211-214.
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69. Azam, S., S.A. Khan, W. Khan, S. Muhammad and H. Udin et al., 2015. Detailed DFT studies of the electronic structure and optical properties of KBaMSe₃ (M = As, Sb). J. Alloys Compounds, 644: 91-96.
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70. Azam, S., S.A. Khan, R. Khenata, G. Murtaza, S.B. Omran and S. Muhammad, 2015. Optoelectronic and magnetic properties of Eu₂Si₅N₈: An Ab-initio study. Zeitschrift Naturforschung A, 70: 897-904.
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71. Azam, S., S.A. Khan, J. Minar, W. Khan and H.U. Din et al., 2015. Coulomb interaction and spin-orbit coupling calculations of thermoelectric properties of the quaternary chalcogenides Tl₂PbXY₄ (X = Zr, Hf and Y = S, Se). Semiconduct. Sci. Technol., Vol. 30. 10.1088/0268-1242/30/10/105018.
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72. Arar, R., T. Ouahrani, D. Varshney, R. Khenata and G. Murtaza et al., 2015. Structural, mechanical and electronic properties of sodium based fluoroperovskites NaXF₃ (X = Mg, Zn) from first-principle calculations. Mater. Sci. Semiconduct. Process., 33: 127-135.
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73. Ali, M.A., A. Khan, S.H. Khan, T. Ouahrani, G. Murtaza, R. Khenata and S.B. Omran, 2015. First principles study of Cu based delafossite transparent conducting oxides CuXO₂ (X = Al, Ga, In, B, La, Sc, Y). Mater. Sci. Semiconduct. Process., 38: 57-66.
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74. Ahmad, M., G. Murtaza, R. Khenata, S.B. Omran and A. Bouhemadou, 2015. Structural, elastic, electronic, magnetic and optical properties of RbSrX (C, SI, Ge) half-Heusler compounds. J. Magnet. Magnet. Mater., 377: 204-210.
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75. Abdiche, A., R. Riane, M. Guemou, R. Khenata, R. Moussa, G. Murtaza and S.B. Omran, 2015. First principle study of structural and electronic properties of cubic quaternary BxGa_1-xAs_1-yN_y alloys. Solid State Commun., 206: 56-64.
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76. Bouhemadou, R.K., S. Bin-Omran, G. Murtaza and Y. Al-Douri, 2015. Structural, elastic, electronic and optical properties of new layered semiconductor BaGa₂P₂. Opt. Mater., 46: 122-130.
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77. Yousaf, M., F. Inam, R. Khenata, G. Murtaza, A.R.M. Isa and M.A. Saeed, 2014. Prediction study of structural, electronic and optical properties of XIn₂S₄ (X = Hg, Zn) thiospinels under pressure effect. J. Alloys Compounds, 589: 353-363.
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78. Ullah, S.,. Ud Din, G. Murtaza, T. Ouahrani, R. Khenata, Naeemullah and S. Bin Omran, 2014. Structural, electronic and optical properties of AgXY₂(X = Al, Ga, In and Y = S, Se, Te). J. Alloys Compounds, 617: 575-583.
79. Ullah, N., G. Murtaza, R. Khenata, K.M. Wong and Z.A. Alahmed, 2014. Phase transition, electronic and optical properties of mercury chalcogenides under pressure. Phase Trans., 87: 571-581.
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80. Ullah, N., G. Murtaza, R. Khenata, J. Rehman, H.U. Din and S.B. Omran, 2014. Structural, chemical bonding and optoelectronic properties of Mg doped zinc chalcogenides: A first principles study. Mater. Sci. Semiconduct. Process., 26: 681-689.
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81. Ullah, H., A.H. Reshak, K. Inayat, R. Ali and G. Murtaza et al., 2014. Structural, elastic, optoelectronic and optical properties of CuX (X = F, Cl, Br, I): A DFT study. J. Optoelect. Adv. Mater., 16: 1493-1502.
82. Sajid, A., S. Ullah, G. Murtaza, R. Khenata, A. Manzar and S.B. Omran, 2014. Electronic structure and optical properties of chalcopyrite CuYZ₂ (Y = Al Ga In; Z = S Se): An ab initio study. J. Opto. Adv. Mat., 16: 76-81.
83. Naeemullah, G. Murtaza, R. Khenata, Z.A. Alahmed and A.H. Reshak, 2014. Phase transition, electronic and optical properties of NaCl under pressure. Modern Phys. Lett. B, Vol. 28. 10.1142/S0217984914500626.
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84. Naeemullah, G. Murtaza, R. Khenata, Mazharullah and S.B. Omran, 2014. Phase transition, electronic and optical properties of III-Sb compounds under pressure. Phase Trans., 87: 893-906.
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85. Naeemullah, G. Murtaza, R. Khenata, A.H. Reshak, S. Naeem and M.N. Khalid, 2014. Insulator to metal transition and optical response of CsCl under pressure. Int. J. Modern Phys. B, Vol. 28. 10.1142/S0217979214500477.
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86. Murtaza, G., S.K. Gupta, T. Seddik, R. Khenata and Z.A. Alahmed et al., 2014. Structural, electronic, optical and thermodynamic properties of cubic REGa₃ (RE = Sc or Lu) compounds: Ab initio study. J. Alloys Compounds, 597: 36-44.
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87. Murtaza, G., R. Sibghat-Ullah, A.H. Khenata, A.H. Reshak and S.S. Hayat, 2014. Optoelectronic properties of XYAs₂ (X = Zn, Cd; Y = Si, Sn) chalcopyrite compounds. J. Optoelect. Adv. Mater., 16: 110-116.
88. Murtaza, G., R. Khenata, S. Muhammad, A.H. Reshak, K.M. Wong, S.B. Omran and Z.A. Alahmed, 2014. Structural, chemical bonding, electronic and magnetic properties of KMF₃ (M = Mn, Fe, Co, Ni) compounds. Comput. Mater. Sci., 85: 402-408.
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89. Murtaza, G., R. Khenata, N. Hassan, S. Naeem, M.N. Khalid and S.B. Omran, 2014. Structural and optoelectronic properties of PbS_xSe_{1− x}, PbS_xTe_{1− x} and PbSe_xTe_{1− x} via first-principles calculations. Comput. Mater. Sci., 83: 496-503.
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90. Murtaza, G., R. Khenata, A.H. Reshak, S.S. Hayat and S.B. Omran, 2014. Towards from indirect to direct band gap and optical properties of XYP₂ (X = Zn, Cd; Y = Si, Ge, Sn). Phys. B: Condensed Matter, 441: 94-99.
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91. Murtaza, G., R. Khenata, A. Safeer, Z.A. Alahmed and S.B. Omran, 2014. Shift of band gap from indirect to direct and optical response of CaO by doping S, Se, Te. Comput. Mater. Sci., 91: 43-49.
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92. Murtaza, G., R. Khenata and A.H. Reshak, 2014. Electronic, optical and bonding properties of MgYZ₂ (Y = Si, Ge; Z = N, P) chalcopyrites from first principles. Mater. Sci. Semiconduct. Process., 26: 79-86.
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93. Missoum, A., T. Seddik, G. Murtaza, R. Khenata and A. Bouhemadou et al., 2014. Ab initio study of the structural and optoelectronic properties of the half-Heusler CoCr Z (Z= Al, Ga). Canadian J. Phys., 92: 1105-1112.
    Direct Link  |  
94. Merabiha, O., T. Seddik, R. Khenata, G. Murtaza and A. Bouhemadou et al., 2014. The effects of 5f localization on the electronic and magnetic properties of the hexagonal U₃ZrSb₅. J. Alloys Compounds, 586: 529-535.
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95. Manzar, A., G. Murtaza, R. Khenata, M. Yousaf and S. Muhammad, 2014. Electronic and optic properties of cubic spinel CdX₂O₄ (X = In, Ga, Al) through modified Becke-Johnson potential. Chinese Phys. Lett., Vol. 31. 10.1088/0256-307X/31/6/067401.
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96. Litimein, F., R. Khenata, S.K. Gupta, G. Murtaza and A.H. Reshak et al., 2014. Structural, electronic and optical properties of orthorhombic and triclinic BiNbO₄ determined via DFT calculations. J. Mater. Sci., 49: 7809-7818.
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97. Jibran, M., G. Murtaza, M.A. Khan, R. Khenata, S. Muhmmad and R. Ali, 2014. First principle study of MF₂ (M = Mg, Ca, Sr, Ba, Ra) compounds. Comput. Mater. Sci., 81: 575-581.
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98. El Amine Monir, M., H. Baltache, G. Murtaza, R. Khenata and S. Bin Omran et al., 2014. Ab initio study of structural, electronic, magnetic and optical properties of Ti-doped ZnTe and CdTe. Int. J. Modern Phys. B, Vol. 28. 10.1142/S0217979214500805.
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99. Djied, A., H. Khachai, T. Seddik, R. Khenata and A. Bouhemadou et al., 2014. Structural phase transition, mechanical and optoelectronic properties of the tetragonal NaZnP: Ab-initio study. Comput. Mater. Sci., 84: 396-403.
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100. Djaafri, T., A. Djaafri, A. Elias, G. Murtaza and R. Khenata et al., 2014. Investigations of the half-metallic behavior and the magnetic and thermodynamic properties of half-Heusler CoMnTe and RuMnTe compounds: A first-principles study. Chinese Phys. B, Vol. 23. 10.1088/1674-1056/23/8/087103.
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101. Ali, R., G. Murtaza, Y. Takagiwa, R. Khenata, H. Uddin, H. Ullah and S.A. Khan, 2014. Optoelectronic properties, elastic moduli and thermoelectricity of SrAlGa: An Ab initio study. Chinese Phys. Lett., Vol. 31. 10.1088/0256-307X/31/4/047102.
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102. Abid, O.M., A. Yakoubi, A. Tadjer, R. Khenata and R. Ahmed et al., 2014. Ab initio study of the structural, electronic, elastic and thermal properties of RMn₂Ge₂ (R = Ca, Nd and Y) intermetallic compounds. J. Alloys Compounds, 616: 475-482.
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103. Shoaib, M., G. Murtaza, R. Khenata, M. Farooq and R. Ali, 2013. Structural, elastic, electronic and chemical bonding properties of AB (A = Sc, Y, La; B = N, P, As, Sb, Bi) from first principles. Comput. Mater. Sci., 79: 239-246.
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104. Semari, F., T. Ouahrani, H. Khachai, R. Khenata and M. Rabah et al., 2013. Electronic band structure, optical, thermal and bonding properties of X Mg₂O₄ (X = Si, Ge) spinel compounds. Int. J. Modern Phys. B, Vol. 27. 10.1142/S0217979213500823.
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105. Sajid, A., G. Murtaza and A.H. Reshak, 2013. Shift of band gap from direct to indirect and optical response of LiF under pressure. Modern Phys. Lett. B, Vol. 27. 10.1142/S0217984913500619.
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106. Naeem, S., G. Murtaza, R. Khenata and M.N. Khalid, 2013. First principle study of CsSrM₃ (M = F, Cl). Physica B: Condensed Matter, 414: 91-96.
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107. Murtaza, G., R. Khenata, S. Naeem, M.N. Khalid and S. Mohammad, 2013. First principle calculations of the ground and excited state properties of RbPbF₃. Chinese Phys. Lett., Vol. 30. 10.1088/0256-307X/30/9/097101.
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108. Murtaza, G., R. Khenata, M.N. Khalid and S. Naeem, 2013. Elastic and optoelectronic properties of RbMF3 (M = Zn, Cd, Hg): A mBJ density functional calculation. Physica B: Condensed Matter, 410: 131-136.
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109. Murtaza, G., I. Ahmad and A. Afaq, 2013. Shift of indirect to direct bandgap in going from K to Cs in MCaF₃ (M = K, Rb, Cs). Solid State Sci., 16: 152-157.
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110. Manzar, A., G. Murtaza, R. Khenata and S. Muhammad, 2013. Electronic band structure and optical response of spinel SnX₂O₄ (X = Mg, Zn) through Modified Becke-Johnson potential. Chinese Phys. Lett., Vol. 30. 10.1088/0256-307X/30/4/047401.
     CrossRef  |  Direct Link  |  
111. Manzar, A., G. Murtaza, R. Khenata and S. Muhammad, 2013. Electronic band profile and optical response of spinel MgIn₂O₄ through modified Becke-Johnson potential. Chinese Phys. Lett., Vol. 30. 10.1088/0256-307X/30/6/067401.
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112. Manzar, A., G. Murtaza, R. Khenata and S. Muhammad, 2013. Electronic and optical properties of spinel GeMg₂O₄ and GeCd₂O₄. Chinese Phys. Lett., Vol. 30. 10.1088/0256-307X/30/12/127401.
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113. Hayatullah, G. Murtaza, R. Khenata, S. Mohammad, S. Naeem, M.N. Khalid and A. Manzar, 2013. First principles calculations of ground and excited state properties of CsMCl₃ (M = Zn, Cd). Physica B: Condensed Matter, 420: 15-23.
114. Haddou, A., H. Khachai, R. Khenata, F. Litimein and A. Bouhemadou et al., 2013. Elastic, optoelectronic and thermal properties of cubic CSi₂N₄: An ab initio study. J. Mater. Sci., 48: 8235-8243.
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115. Ayatullahah, H., G. Murtaza, S. Muhammad, S. Naeem, M.N. Khalid and A. Manzar, 2013. Physical properties of CsSnM₃ (M= Cl, Br, I): A first principle study. Acta Phys. Polym., 124: 102-107.
     Direct Link  |  
116. Ali, R., R. Khanata, B. Amin, G. Murtaza and S. Bin Omran, 2013. Structural, elastic, electronic, chemical bonding and optical properties of M ₂ Se (M = Li, Na, K, Rb) through first principle study. Int. J. Modern Phys. B, Vol. 27. 10.1142/S0217979213501701.
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117. Ali, M., S. Mohammad, M. Haneef, M. Khan and G. Murtaza, 2013. Opto-electronic response of Spinel SiZn₂O₄ to a modified Becke-Johnson potential. J. Korean Phys. Soc., 63: 961-964.
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118. Murtaza, G., B. Amin, S. Arif, M. Maqbool and I. Ahmad et al., 2012. Structural, electronic and optical properties of CaxCd_{1− x}O and its conversion from semimetal to wide bandgap semiconductor. Comput. Mater. Sci., 58: 71-76.
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119. Murtaza, G. and I. Ahmad, 2012. Shift of indirect to direct bandgap and optical response of LaAlO₃ under pressure. J. Applied Phys., Vol. 111. 10.1063/1.4729264.
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120. Ahmad, I., B. Amin, M. Maqbool, S. Muhammad, G. Murtaza, S. Ali and N.A. Noor, 2012. Optoelectronic response of GeZn₂O₄ through the modified becke-Johnson potential. Chinese Phys. Lett., Vol. 29. 10.1088/0256-307X/29/9/097102.
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121. Murtaza, G., I. Ahmad, M. Maqbool, H.R. Aliabad and A. Afaq, 2011. Structural and optoelectronic properties of cubic CsPbF₃ for novel applications. Chinese Phys. Lett., Vol. 28. 10.1088/0256-307X/28/11/117803.
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122. Murtaza, G., I. Ahmad, B. Amin, M. Saddique, N. Khalid and S. Naeem, 2011. First principles study of on the structural, electronic and optical properties of cubic AgTF₃ (T:Mg, Zn). Physica B: Condensed Matter, 406: 2509-2514.
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123. Murtaza, G., I. Ahmad, B. Amin, A. Afaq, F. Ghafoor and A. Benamrani, 2011. Linear and nonlinear optical response of Mg_xZn_{1− x}O: A density functional study. Physica B: Condensed Matter, 406: 2632-2636.
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124. Murtaza, G., I. Ahmad, B. Amin, A. Afaq and M. Maqbool et al., 2011. Investigation of structural and optoelectronic properties of BaThO₃. Opt. Mater., 33: 553-557.
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125. Murtaza, G. and I. Ahmad, 2011. First principle study of the structural and optoelectronic properties of cubic perovskites CsPbM₃ (M = Cl, Br, I). Phys. B: Condensed Matter, 406: 3222-3229.
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126. Khan, I., I. Ahmad, B. Amin, G. Murtaza and Z. Ali, 2011. Bandgap engineering of Cd1_{− x}Sr_xO. Phys. B: Condensed Matter, 406: 2509-2514.
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127. Ali, Z., I. Ahmad, B. Amin, M. Maqbool and G. Murtaza et al., 2011. Theoretical studies of structural and magnetic properties of cubic perovskites PrCoO₃ and NdCoO₃. Physica B: Condensed Matter, 406: 3800-3804.
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