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Density functional calculations of structural, elastic and optoelectronic features of MgxZn1-xS, MgxZn1-xSe and MgxZn1-xTe alloys Sarkar U, Debnath B, Debbarma M, Ghosh D, Chanda S, Bhattacharjee R, Chattopadhyaya S Materials Chemistry and Physics, 230, 54, 2019 |
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A study of ferroelectric and magnetic properties of rare earth (RE=La, Nd, Sm, Gd) doped BiFeO3 using modified Becke Johnson potential with SOC techniques Mahesh R, Reddy PV Materials Chemistry and Physics, 232, 460, 2019 |
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Influence of doping of mercury atom(s) on optoelectronic properties of binary cadmium chalcogenides - A density functional theory based investigation with different exchange-correlation functionals and including spin-orbit coupling Debbarma M, Sarkar U, Debnath B, Chanda S, Ghosh D, Bhattacharjee R, Chattopadhyaya S Current Applied Physics, 18(6), 698, 2018 |
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High-pressure structural phase transitions and electronic properties of the alkali hydride compounds XH (X=K, Rb and Cs) Jaradat R, Abu-Jafar M, Abdelraziq I, Bin Omran S, Dahliah D, Khenata R Materials Chemistry and Physics, 208, 132, 2018 |
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Systematic DFT study of the impact of anionic variations on the physical properties of Cd1-xMnxX (X=S, Se, Te; x=6.25%) Mahmood Q, Khalil S, Hassan M, Laref A Materials Research Bulletin, 107, 225, 2018 |
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Engineering of highly mismatched alloy with semiconductor and semi-metallic substituent's for photovoltaic applications Ul Haq B, Ahmed R, Mohamad M, Shaari A, Rhee J, AlFaify S, Ianoun MB, Goumri-Said S Current Applied Physics, 17(2), 162, 2017 |
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First principles investigations of electronics, magnetic, and thermoelectric properties of rare earth based PrYO3(Y = Cr, V) perovskites Sabir B, Murtaza G, Mahmood Q, Ahmad R, Bhamu KC Current Applied Physics, 17(11), 1539, 2017 |
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Photophysical, transport and structure properties of Tl10Hg3Cl16 single crystals: Novel photocatalytic water-splitting solar-to-hydrogen energy conversion Reshak AH Journal of Catalysis, 352, 142, 2017 |
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Effects of barium (Ba) doping on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds - A theoretical investigation using DFT based FP-LAPW approach Bhattacharjee R, Chattopadhyaya S Materials Chemistry and Physics, 199, 295, 2017 |
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Highly desirable semiconducting materials for mid-IR optoelectronics: Dilute bismide InAs1-xBix alloys Assali A, Bouslama M, Reshak AH, Chaabane L Materials Research Bulletin, 95, 588, 2017 |