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Energy gap
Density functional theory
7
Calculations
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Electronic structure
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Density-functional-theory
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Optical properties
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Refractive index
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18 valance electron count rule
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Absorption spectroscopy
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Aliovalent substitution
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Atoms
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Boltzmann equation
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Dynamics
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Electron count
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Electronic structure and optical properties
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Electrons
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First principles
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First-principles
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Fourier transform infrared spectroscopy
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Generalized gradient approximations
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Hafnium alloys
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Half heusler alloy
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Half-Heusler alloys
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Halide perovskites
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II-VI semiconductors
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L-values
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Lattice vibrations
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Light absorption
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Pentanary
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Perovskite
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1by Bahru, R., Haniff, M.A.S.M, Mohamed, M.A, Mondal, A.K, Ping, L.K, Samat, M.H, Taib, M.F.MSubjects: “...Complex dielectric functions...”
Published 2021
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3by Bahru, R., Berhanuddin, D.D, Mohamed, M.A, Mondal, A.K, Ping, L.K, Samat, M.H, Susthitha Menon, P., Taib, M.F.MSubjects: “...Calculated optical properties...”
Published 2021
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6by Bauer, E., Beyer, S., Garmroudi, F., Khmelevskyi, S., Mori, T., Parzer, M., Reticcioli, M., Riss, A.Subjects: “...Density functional theory...”
Published 2022
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7by Busse, C., Fischer, J., Jolie, W., Komsa, H.-P, Michely, T., Murray, C., Van Efferen, C.Subjects: “...Density functional theory...”
Published 2022
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