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Author Topic: Band gap of MoS2  (Read 1903 times)

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Offline abhishek77492652

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Band gap of MoS2
« on: September 24, 2017, 14:14 »
Hello Sir,
I have calculated the bandgap of MoS2 monolayer using GGA-PBE and LDA-PW but i am not getting the actual value  (1.9 eV  experimentally).  I obtain 1.68 eV  using GGA-PBE and 1.82 eV using LDA-PW.  How i get actual value ?
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