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- W2967996912 abstract "Elastic-constants and various physical properties of condensed hexagonal space group P6/mmm of NbB2 have been calculated under different high pressure ranges and presented by using ab-initio density functional theory (DFT) under a plane-wave basis sets with generalized gradient approximation with Perdew-Burke-Enzerhof exchange-correlation methods as per Kohn-Sham approximations under Vanderbilt ultrasoft type method having Non-Linear-scalar relativistic core-correction pseudopotentials for each atom of semi-core state in valance as implemented in the Quantum ESPRESSO suite." @default.
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- W2967996912 date "2019-01-01" @default.
- W2967996912 modified "2023-10-14" @default.
- W2967996912 title "Physical properties of NbB2 under pressure using quantum ESPRESSO codes" @default.
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- W2967996912 doi "https://doi.org/10.1063/1.5120915" @default.
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