# Mn-Intercalated MoSe$_2$ under pressure: electronic structure and vibrational characterization of a dilute magnetic semiconductor

## TL;DR

This study explores how intercalating manganese into MoSe₂ and applying pressure alters its electronic and vibrational properties, revealing potential for creating tunable dilute magnetic semiconductors for spintronics.

## Contribution

It demonstrates the combined effects of Mn intercalation and pressure on MoSe₂'s vibrational modes and electronic structure, highlighting a pathway to engineer magnetic semiconductors.

## Key findings

- Activation of Raman inactive modes with intercalation and pressure
- Observation of a new Raman mode upon decompression
- Shift of Fermi level into conduction band and increased spin polarization

## Abstract

Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at ambient and high pressure up to 7 GPa by Raman scattering and electronic structure calculations. The behavior of optical phonons is studied experimentally with a diamond anvil cell and computationally through density functional theory calculations. Experiment and theory show excellent agreement in optical phonon behavior. The previously Raman inactive A$_{2u}$ mode is activated and enhanced with intercalation and pressure, and a new Raman mode appears upon decompression, indicating a possible onset of a localized structural transition, involving the bonding or trapping of intercalant in 2D layered materials. Density functional theory calculations reveal a shift of Fermi level into the conduction band and spin polarization in Mn$_x$MoSe$_2$ that increases at low Mn concentration and low pressure. Our results suggest that intercalation and pressurization of van der Waals materials may allow one to obtain dilute magnetic semiconductors with controllable properties, providing a viable route for the development of new materials for spintronic applications.