supported by the National Natural Science Foundation of China (Grant Nos.10974139,10964002,11104247 and 11176020);the Provincial Natural Science Foundation of Guizhou (Grant Nos.[2009]2066 and TZJF-2008-42);the Provincial Natural Science Foundation of Hainan (Grant No.110001);the Provincial Natural Science Foundation of Chong Qing(Grant No.CSTCcstc2011jja90002);the Provincial Natural Science Foundation of Zhejiang (Grant No.Y201121807)
We investigate the elastic and thermodynamic properties of nanolaminate VzA1C by using the ab initio pseudopotential total energy method. The axial compressibility shows that the c axis is always stiffer than a axis. ...
Project supported by the National Natural Science Foundation of China(Grant Nos.10974139,10964002,11104247,and 11176020);the Natural Science Foundation of Guizhou Province,China(Grant Nos.[2009]2066 and [2009]07);the Project of Aiding Elites' Research Condition of Guizhou Province,China(Grant No.TZJF-2008-42);the Science Foundation from Education Ministry of Zhejiang Province,China(Grant No.Y201121807)
Using Vanderbilt-type plane-wave ultrasoft pseudopotentials within the generalized gradient approximation(GGA) in the frame of density functional theory(DFT),we have investigated the crystal structures,elastic,and...