@conference {44661,
	title = {Electronic structure of Gd based transition metal antimonides GdTSb (T = Ni, Pt)},
	booktitle = {2nd International Conference on Condensed Matter and Applied Physics (ICC-2017)},
	year = {2018},
	month = {NOV},
	publisher = {Govt Engn Coll Bikaner; DST; DAE BRNS},
	organization = {Govt Engn Coll Bikaner; DST; DAE BRNS},
	address = {2 Huntington Quadrangles, STE 1NO1, Melville, NY 11747-4501 USA},
	abstract = {<p>We report the electronic and magnetic properties of ternary GdNiSb and GdPtSb compounds with cubic MgAgAs type structure. The energy bands, density of states and atom specific magnetic moments of compounds have been computed using GGA+U approach. The calculations predict that GdNiSb is a small band gap semiconductor whereas GdPtSb is metallic in nature.</p>},
	isbn = {978-0-7354-1648-2},
	doi = {10.1063/1.5033035},
	author = {Sahariya, Jagrati and Kumar, Pancham and Bhamu, K. C. and Soni, Amit},
	editor = {Shekhawat, MS and Bhardwaj, S and Suthar, B}
}
@article {47420,
	title = {Electronic and optical properties of vacancy ordered double perovskites A(2)BX(6) (A=Rb, Cs; B=Sn, Pd, Pt; and X=Cl, Br, I): a first principles study},
	journal = {Scientific Reports },
	volume = {11},
	year = {2021},
	month = {MAR },
	pages = {6965},
	type = {Article},
	abstract = {<p>The highly successful PBE functional and the modified Becke-Johnson exchange potential were used to calculate the structural, electronic, and optical properties of the vacancy-ordered double perovskites A(2)BX(6) (A=Rb, Cs; B=Sn, Pd, Pt; X=Cl, Br, and I) using the density functional theory, a first principles approach. The convex hull approach was used to check the thermodynamic stability of the compounds. The calculated parameters (lattice constants, band gap, and bond lengths) are in tune with the available experimental and theoretical results. The compounds, Rb2PdBr6 and Cs2PtI6, exhibit band gaps within the optimal range of 0.9-1.6 eV, required for the single-junction photovoltaic applications. The photovoltaic efficiency of the studied materials was assessed using the spectroscopic-limited-maximum-efficiency (SLME) metric as well as the optical properties. The ideal band gap, high dielectric constants, and optimum light absorption of these perovskites make them suitable for high performance single and multi-junction perovskite solar cells.</p>},
	issn = {2045-2322},
	doi = {10.1038/s41598-021-86145-x},
	author = {Faizan, Muhammad and Bhamu, K. C. and Murtaza, Ghulam and He, Xin and Kulhari, Neeraj and AL-Anazy, Murefah Mana and Khan, Shah Haidar}
}
