Mechanical and electronic properties of ternary alloys XY3Ti11

• Published in: Russian physics journal Vol. 68; no. 3; pp. 434 - 443
• Main Authors: Kasparyan, S. O., Ordabaev, A. E., Bakulin, A. V., Kulkova, S. E.
• Format: Journal Article
• Language: English
• Published: Cham Springer International Publishing 01.03.2025; Springer Nature B.V
• Subjects: Anisotropy; Chemical composition; Condensed Matter Physics; Elastic properties; Electronic properties; Electronic structure; Hadrons; Heavy Ions; Lasers; Mathematical and Computational Physics; Nuclear Physics; Optical Devices; Optics; Photonics; Physics; Physics and Astronomy; Ternary alloys; Theoretical; Titanium base alloys; Titanium alloys; Electronic structure; Elastic properties; Young’s modulus anisotropy

The electronic structure and elastic properties of four series of titanium alloys of composition XY 3 Ti 11 , where X and Y are elements of IIIA, IVA, IVB–VIB groups, is studied by the projector augmented-wave method using the cluster-plus-glue-atom model. The smallest values of the Young’s modulus...