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The prediction of structural, electronic, optical and vibrational behavior of ThS2 for nuclear fuel applications: a DFT study

R.M. Arif Khalil, Muhammad Iqbal Hussain, Nyla Saeed, Anwar Manzoor Rana, Fayyaz Hussain

2021Optical and Quantum Electronics18 citationsDOI

Topics & Concepts

CASTEPDensity functional theoryBand gapMaterials sciencePhononElectronic structureMolecular physicsPhysicsCondensed matter physicsQuantum mechanicsOptoelectronicsNuclear Materials and PropertiesChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography
The prediction of structural, electronic, optical and vibrational behavior of ThS2 for nuclear fuel applications: a DFT study | Litcius