First-principles study of high pressure structure phase transition and elastic properties of titanium

We present a study of the structural phase transition and elastic properties of titanium (Ti) by using the projector augmented wave (PAW) within the Perdew–Burke–Ernzerhof (PBE) form of generalized-gradient approximation (GGA). The calculated phase transition ω → γ at ca. 116.5 GPa, which agrees we...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Solid state sciences 2010-08, Vol.12 (8), p.1473-1479
Hauptverfasser:	Hao, YanJun, Zhu, Jun, Zhang, Lin, Qu, JianYing, Ren, HaiSheng
Format:	Artikel
Sprache:	eng
Schlagworte:	Approximation Binding Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Elastic constants Elastic properties Elasticity, elastic constants Electron states Equations of state, phase equilibria, and phase transitions Exact sciences and technology First-principles study Ligands Mathematical analysis Mechanical and acoustical properties of condensed matter Mechanical properties of nanoscale materials Mechanical properties of solids Methods of electronic structure calculations Phase transformations Phase transition Physics Schiff bases Sound waves Specific phase transitions Structural transitions in nanoscale materials Titanium
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!