Theoretical study on the structural, elastic, electronic and thermodynamic properties of long-period superstructures h- and r-al2ti under high pressure

HIGHLIGHTS

• who: Yufeng Wen and colleagues from the School of Mathematical Sciences and Physics, Jinggangshan University, Ji`an, China have published the Article: Theoretical Study on the Structural, Elastic, Electronic and Thermodynamic Properties of Long-Period Superstructures h- and r-Al2Ti under High Pressure, in the Journal: Materials 2022, 15, 4236. of /2022/
• what: In this work the structural elastic electronic and thermodynamic properties of h- and r-Al2 Ti long-period superstructures under pressure up to 30 GPa were systematically investigated using first-principles calculations based on density functional theory.
• how: The results . . .
  

   

  

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