科研之友
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摘要
Using first-principles calculation, we have investigated the stability of various possible structures for hypothetical carbon phosphide solids with composition C3P4. Unlike C3N4, the calculations predict that pseudocubic-C3P4 is energetically favored relative to alpha-C3P4 and beta-C3P4. The pseudocubic phase has bulk modulus of 230 GPa, highest among the various structures considered.
- 出版日期2002-3-20
