Title :
Nano-design of nanostructured TlInSe2 electronic properties in the conditions of elastic deformation
Author :
Nelayev, V. ; Lyskouski, V. ; Mamedov, N. ; Medvedev, S.
Author_Institution :
Micro- & Nanoelectron. Dept., Belarusian State Univ. of Inf. & Radioelectron., Minsk, Belarus
Abstract :
The influence of external elastic compress and tensile deformation on electronic properties of nanostructured TlInSe2 compound is described. Regular changes of the valence band shape and the amount of the band gap from the elastic deformation of the crystal were detected. Simulations were carried out by means of ab initio quantum-mechanical and molecular dynamics methods using Vienna Ab-Initio Simulation Package (VASP).
Keywords :
ab initio calculations; compressibility; crystal structure; elastic deformation; energy gap; indium compounds; magnetic anisotropy; magnetic semiconductors; molecular dynamics method; nanostructured materials; tensile strength; ternary semiconductors; thallium compounds; valence bands; TlInSe2; Vienna ab-initio simulation package; ab initio quantum-mechanical simulations; band gap; crystals; elastic deformation; electronic properties; external elastic compression; ferromagnetic properties; molecular dynamics methods; nanodesign; nanostructured compound; spin anisotropy; tensile deformation; valence band shape; Atomic measurements; Compounds; Crystals; Magnetic properties; Photonic band gap; Strain; Nanostructured TlInSe2 crystal; VASP program package; elastic deformation; electronic and magnetic properties; spin anisotropy;
Conference_Titel :
CAD Systems in Microelectronics (CADSM), 2011 11th International Conference The Experience of Designing and Application of
Conference_Location :
Polyana-Svalyava
Print_ISBN :
978-1-4577-0042-2
Electronic_ISBN :
978-966-2191-17-2
