GAP DISCRETE BREATHER IN B2 BIATOMIC CRYSTAL

10.25712/ASTU.1811-1416.2025.02.006

Authors

  • Dina Abdullina Institute of Molecule and Crystal Physics, Ural Federal Research Center, Russian Academy of Sciences, Ufa, 450075 Russia https://orcid.org/0000-0001-6196-6093
  • Yurii Bebikhov Polytechnic Institute (Branch) in Mirny, North-Eastern Federal University, Tikhonova St. 5/1, 678170 Mirny, Sakha Republic (Yakutiya), Russia https://orcid.org/0000-0002-8366-4819
  • Mariya Semenova Polytechnic Institute (Branch) in Mirny, North-Eastern Federal University, Tikhonova St. 5/1, 678170 Mirny, Sakha Republic (Yakutiya), Russia https://orcid.org/0000-0002-7298-0226
  • Evgeniy Naumov Institute of Molecule and Crystal Physics, Ural Federal Research Center, Russian Academy of Sciences, Ufa, 450075
  • Sergei Dmitriev Institute of Molecule and Crystal Physics, Ural Federal Research Center, Russian Academy of Sciences, Ufa, 450075 Russia https://orcid.org/0000-0002-6744-4445

Keywords:

crystal lattice, biatomic crystal, discrete breather, molecular dynamics

Abstract

The biatomic crystal with B2 structure is considered with the interatomic interactions described by the β-Fermi-Pasta-Ulam-Tsingou potential. The case of a large difference in the atomic masses of the components is analyzed. The phonon spectrum of the crystal possesses a forbidden zone (gap). A spatially localized large-amplitude vibrational mode, called the discrete breather (DB), is found by applying a localization function to the delocalized nonlinear vibrational mode (DNVM). The DNVM and consequently the DB have frequencies in the gap of the phonon spectrum.

Author Biographies

Dina Abdullina, Institute of Molecule and Crystal Physics, Ural Federal Research Center, Russian Academy of Sciences, Ufa, 450075 Russia

Junior Researcher, Institute of Molecule and Crystal Physics, Ufa Federal Research Center

Yurii Bebikhov, Polytechnic Institute (Branch) in Mirny, North-Eastern Federal University, Tikhonova St. 5/1, 678170 Mirny, Sakha Republic (Yakutiya), Russia

Doctor of Physical and Mathematical Sciences, Associate Professor, Head of the Department «Electric power engineering and automation of industrial production», Polytechnic Institute (branch) in Mirny, North-Eastern Federal University

Mariya Semenova, Polytechnic Institute (Branch) in Mirny, North-Eastern Federal University, Tikhonova St. 5/1, 678170 Mirny, Sakha Republic (Yakutiya), Russia

Candidate of Physical and Mathematical Sciences, Associate Professor, Department of Fundamental and Applied Mathematics, MPTI (branch), SVFU

Evgeniy Naumov, Institute of Molecule and Crystal Physics, Ural Federal Research Center, Russian Academy of Sciences, Ufa, 450075

postgraduate student, Institute for Problems of Superplasticity of Metals, Russian Academy of Sciences

Sergei Dmitriev, Institute of Molecule and Crystal Physics, Ural Federal Research Center, Russian Academy of Sciences, Ufa, 450075 Russia

Doctor of Physical and Mathematical Sciences, Professor, Head of the Laboratory, Institute of Molecule and Crystal Physics, Ufa Federal Research Center

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Published

2025-06-30

How to Cite

Abdullina Д., Bebikhov Ю., Semenova М., Naumov Е., & Dmitriev С. (2025). GAP DISCRETE BREATHER IN B2 BIATOMIC CRYSTAL: 10.25712/ASTU.1811-1416.2025.02.006. Fundamental’nye Problemy Sovremennogo Materialovedenia / Basic Problems of Material Science, 22(2), 184–193. Retrieved from https://ojs.altstu.ru/index.php/fpsm/article/view/1095

Issue

Vol. 22 No. 2 (2025): Basic Problems of Material Science

Section

SECTION 1. CONDENSED MATTER PHYSICS