Journal Publications

· International Journal Publications:

1. Karina Khan, Amit Soni, Ushma Ahuja, Jagrati Sahariya*, “Band gap tuning in MgGeN₂ chalcopyrite with Sr and Sn doping: An ab-initio investigation”. Materials Science in Semiconductor Processing 144 (2022) 106603

2. Hansraj Karwasara, K.C. Bhamu, Sung Gu Kang, A.K. Kushwaha, D.P. Rai, Subrahmanyam Sappati, Jagrati Sahariya, Amit Soni, “Ab-initio investigations for structural, mechanical, optoelectronic, and thermoelectric properties of Ba₂SbXO₆ (X=Nb, Ta) compounds.” J. Alloys and Compounds 893 (2021)162332.

3. Karina Khan, Ushma Ahuja, Amit Soni, Jagrati Sahariya*, “First principle investigations of structural, electronic, and optical properties of N- and Sn-doped MgSiP_2,” Int J Energy Res. 2021;1-9. doi:10.1002/er.7217

4. Karina Khan, Amit Soni, Jagrati Sahariya*, “Structural, electronic and optical modeling of perovskite solar materials ASnX₃ (A = Rb, K; X = Cl, Br): First principle investigations,” Materials Chemistry and Physics 262 (2021) 124284.

5. Aditi Gaur, Karina Khan, B.R. Bhagat, Jagrati Sahariya, Amit Soni, Alpa Dashora, “Role of intermediate band and carrier mobility in Sn/Fe doped CuAlS₂ thin film for solar cell: An ab-initio study,” Solar Energy 215 (2021) 144-150.

6. Karina Khan, Aditi Gaur, Ushma Ahuja, Amit Soni, Jagrati Sahariya*, “Density functional investigations to study effect of M = (Ge, Sn) doping on opto-electronic response of ZnSi_{(1 – x)}M_xP₂,” Optik - International Journal for Light and Electron Optics, 208 (2020) 164570.

7. Amit Soni, K.C. Bhamu, Jagrati Sahariya*, “Investigating effect of strain on electronic and optical properties of lead free double perovskite Cs₂AgInCl₆ solar cell compound: A first principle calculation,” J. Alloys and Compounds, 817 (2020) 152758.

8. Amit Soni, Pancham Kumar, Ushma Ahuja, Jagrati Sahariya*, “Structure dependent electronic and optical properties of Cu₂ZnGeX₄ (X=S, Se) solar cell compounds,” Optik- Inter. J. Light and Electron Optics, 182 (2019) 802.

9. A. Dashora, Jagrati Sahariya, H.S. Mund, M.D. Mukadam, S.M. Yusuf, M. Itou, Y. Sakurai,G. Arora, B.L. Ahuja, “Magnetic properties and spin momentum densities of Ni excess Ni-Mn-Sn Heusler alloys, J. Mag. Mag. Mater., 484 (2019) 1.

10. Electronic and Optical Response of Chalcopyrites Cu₂InMSe₄ (M = Al, Ga): First Principles Investigation for Use in Solar Cell; Jagrati Sahariya, Ushma Ahuja, Amit Soni; J. Elect. Mater.; 48 (2019) 6521.

11. K.C. Bhamu, Amit Soni, Jagrati Sahariya*, “Revealing optoelectronic and transport properties of potential perovskites Cs₂PdX₆ (X=Cl, Br): A probe from density functional theory (DFT),” Solar Energy, 162 (2018) 336.

12. Ashok Kumawat, Jagrati Sahariya*, Kishore Kumar, B. L. Ahuja, “Electronic and optical properties of CaCl₂ using Compton scattering and density functional theory,” Rad. Phys. Chem., 150 (2018) 207.

13. Jagrati Sahariya, Pancham Kumar, Amit Soni, “Structural and optical investigations of ZnGa₂X₄ (X = S, Se) compounds for solar photovoltaic applications,” Mater. Chem. Phys., 199 (2017) 257.

14. Pancham Kumar, Amit Soni, K.C. Bhamu, Jagrati Sahariya*, “Optoelectronic behavioral study of defect-chalcopyrite semiconductors XGa₂Te₄ (X = Zn, Cd),” Mater. Res. Bull, 86 (2017) 131.

15. N.L. Heda, B.S. Meena, H.S. Mund, Jagrati Sahariya, K. Kumar and B. L. Ahuja, “Electron momentum distribution and electronic response of ceramic borides,” Physica B, 509 (2017) 16.

16. K C Bhamu, Jagrati Sahariya, Rishi Vyas, K. R. Priolkar, “Density functional study of AgScO₂: electronic and optical properties,” Pramana – J. Phys, 89 (2017) 11.

17. B. L. Ahuja H. S. Mund, Jagrati Sahariya, A. Dashora, M. Halder, S. M. Yusuf, M. Itou, Y. Sakurai, “Temperature dependent spin and orbital magnetization in TbCo₂: Magnetic Compton scattering and first-principles investigations,” J. Alloys & Compounds, 633 (2015) 430.

18. K. Sharma, Jagrati Sahariya, B. L. Ahuja, “Electronic structure, optical properties and Compton profiles of RuO₂: Performance of PBEsol exchange-correlation approximation,” J. Alloys & Compounds, 645 (2015) 414.

19. B. L. Ahuja, R. Joshi, Jagrati Sahariya, “Electronic properties of WC nano-compound: Compton spectroscopy and band structure calculations,” J. Experimental Nanoscience, 9 (2014) 766.

20. H. S. Mund, Jagrati Sahariya, B. L. Ahuja, “A high energy Compton scattering study of magnetocaloric HoAl₂,” Rad. Phys. Chem, 96 (2014) 148.

21. Jagrati Sahariya, H. S. Mund, A. Sharma, A. Dashora, M. Itou, Y. Sakurai, B. L. Ahuja, “Magnetic properties of NiFe_2-xRE_xO₄ (RE = Dy, Gd) using magnetic Compton scattering,” J. Mag. Mag. Mater, 360 (2014) 114.

22. S. Sharma, Jagrati Sahariya, G. Arora, B. L. Ahuja, “Electronic structure of lanthanum sesquioxide: A Compton scattering study,” Physica B, 450 (2014) 124.

23. B. L. Ahuja, F. M. Mohammad, S. F. Mohammed, Jagrati Sahariya, H. S. Mund and N. L. Heda, “Compton scattering and charge ordering in Er substituted DyAl₂,” J. Phys. Chem. Solids, 70 (2014) 55.

24. S. F. Mohammed, F. M. Mohammad, Jagrati Sahariya*, H. S. Mund, K. C. Bhamu and B. L. Ahuja, “Electronic structure of CaCO₃: A Compton scattering study,” Appl. Rad. Isotop, 72 (2013) 64.

25. A. M. Ghaleb, F. M. Mohammad, Jagrati Sahariya, B. L. Ahuja, “Electronic structure and electron momentum density in TiSi,” Physica B, 412 (2013) 106.

26. K.C. Bhamu, Jagrati Sahariya, B. L. Ahuja, “Electronic structure of ceramic CrSi₂ and WSi₂: Compton spectroscopy and ab-initio calculations,” J. Phys. Chem. Solids, 74 (2013) 765.

27. P. Jain, Jagrati Sahariya, H. S. Mund, M. Sharma, B. L. Ahuja, “Ab-initio calculations for electronic and optical properties of explosive silver azide,” Comp. Mater. Sciences, 72 (2013) 101.

28. A. Dashora, H. S. Mund, Jagrati Sahariya, K. R. Priolkar, N. Lobo, M. Itou, Y. Sakurai, B. L. Ahuja, “Magnetic Compton scattering study of Ni₂Mn_1.4Sn_0.6 shape memory alloy,” Adv. Mater. Res., 665 (2013) 189.

29. A. Dashora, Jagrati Sahariya, R. J. Choudhary, D. M. Phase, M. Itou,Y. Sakurai, B. L. Ahuja, “Feasibility of magnetic Compton scattering in measurement of small spin moments: A study on LaFe_1-xNi_xO₃ (x=0.4 and 0.5),” Applied Physics Letters, 102 (2013) 142403.

30. P. Jain, Jagrati Sahariya, B. L. Ahuja, “Compton scattering study and electronic structure of different phases of NH₄NO₃,” Physica Scripta, 87 (2013) 065102.

31. H. S. Mund, Jagrati Sahariya, D. M. Phase, M. Itou, Y. Sakurai, B. L. Ahuja, “Study of spin and orbital magnetization in Dy- and Gd-doped Co ferrite using magnetic Compton scattering,” Applied Physics Letters, 102 (2013) 232403.

32. B. L. Ahuja, P. Jain, Jagrati Sahariya, N. L. Heda and P. Soni, “Electronic properties of RDX and HMX: Compton scattering experiment and first-principle calculations,” J. Phys. Chem. A, 117 (2013) 5685.

33. V. Raykar, Jagrati Sahariya, B. L. Ahuja, “Directional Compton profiles of CdTe using a low intensity ²⁴¹Am source,” Rad. Phys. Chem., 87 (2013).

34. B. L. Ahuja, H. S. Mund, S. Tiwari, Jagrati Sahariya, A. Dashora, M. Itou, Y. Sakurai, “Evaluation of orbital moment in Ni-Zn ferrites: A magnetic Compton scattering study,” App. Phys. Lett, 10 (2012) 132410.

35. R. Joshi, Jagrati Sahariya, H. S. Mund, K. C. Bhamu, S. Tiwari, B. L. Ahuja, “Compton profiles of MoP and WP: Validation of second order generalized gradient approximation,” Comp. Mater. Sci., 53 (2012) 89.

36. Jagrati Sahariya, B. L. Ahuja, “Electronic structure of Ni₂TiAl: Theoretical aspects and Compton scattering measurement,” Physica B, 407 (2012) 4182.

37. F. M Mohammed, A. M. Ghaleb, Jagrati Sahariya, B. L. Ahuja, K. C. Bhamu, “Investigation of electronic structure of Nd₂O₃: Experiment and theory,” Natural Science, 4 (2012) 797.

38. Jagrati Sahariya, S. Tiwari, H. S. Mund, S. Sarma, A. Srinivasan, M. Itou, Y. Sakuraiand B. L. Ahuja, “A magnetic Compton scattering study of Ga rich Co–Ni–Ga ferromagnetic shape memory alloys,” J. Phys.: Conden. Matter, 23 (2011) 386002.

39. Jagrati Sahariya, H. S. Mund, B. L. Ahuja, “Electronic properties of magnetocaloric alloy GdAl₂: A Compton scattering study,” J. Phys. Chem. Solids, 72 (2011) 1515.

40. Jagrati Sahariya, B. L. Ahuja, “Compton profiles and electronic properties of Nd,” Phys. Scripta, 84 (2011) 065702.

41. B. L. Ahuja, S. Tiwari, A. Dashora, H. S. Mund, Jagrati Sahariya, D. M. Phase, R. J. Chaudhary, A. Banerjee, M. Itou, Y. Sakurai, “On the role of Al doping in La_0.7Ca_0.3MnO₃: A magnetic Compton scattering study,” App. Phys. Lett., 99 (2011) 065512.

42. H. S. Mund, S. Tiwari, Jagrati Sahariya, M. Itou, Y. Sakurai, B. L. Ahuja, “Investigation of orbital magnetization in inverse spinel cobalt ferrite using magnetic Compton scattering,” J. App. Phys., 110 (2011) 073914.

43. R. Joshi, Jagrati Sahariya, B. L. Ahuja, “Compton scattering study and electronic properties of vanadium carbide: A validation of hybrid functional,” Physica B, 406 (2011) 2007.

44. G. Choudhary, V. Raykar, A. Dashora, Jagrati Sahariya, B. L. Ahuja, “Compton scattering studies and electronic properties of cerium,” J. Rare Earths, 29 (2011) 804.