2004•Lithuanian Journal of PhysicsRequires access

Investigation of anharmonicity of normal vibrational modes in [Sb2S3]2cluster

A. Audzijonis, L. Žigas, J. Narušis, N. Mykolaitienė, D. Balnionis, Aurimas Čerškus, A. Pauliukas

Abstract

Theoretical investigation of the vibrational spectrum based on a chain model of the cluster with two Sb2S3 molecules in a cell is presented. For this purpose, symmetric and normal coordinates along the z (c) axis have been formed. The dependence of total energy E(�z) upon normal coordinates has been defined for four infrared and five Raman modes. The anharmonicity of these modes has been evaluated by calculating a ratio of quasi-harmonic e and harmonic frequencies !0.

About this research paper

What this paper is about

Why it matters

A significance statement is not available in the OpenAlex record.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

Key concepts: Anharmonicity, Normal coordinates, Normal mode, Raman spectroscopy, Cluster (spacecraft), Harmonic, Atomic physics, Physics