This work was supported by the National Nat- ural Science Foundation of China (No.11304408 and No.1347019), the NSAF (No.U1230201), the Natural Science Foundation of Chongqing City (No.cstc2012jjA50019 and No.cstc2013jcyjA0733), the China Postdoctoral Science Foundation (No.2014M552380 and No.2014M552541XB).
The traditional quasiharmonic approximation cannot predict the phase diagram of Ti accu- rately, due to the well-known soften phonon modes of the β-Ti. By means of self-consistent ab initio lattice dynamics (SCAILD...