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The structural, elastic and electronic properties of TiC, ZrC, HfC and TaC have been investigated by first-principles calculations using the plane-wave pseudopotential method. Different exchange–correlation functionals regarding the local density approximation and the PBE, RPBE and PW91 forms of generalized gradient approximation are taken into account. The NaCl-type cubic structures of TMC (TM=Ti,...
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