Combined Experimental and Ab Initio Study of Sc Doping in MgB 2 : Decoupling Electronic and Microstructural Effects on Superconductivity

The Journal of Physical Chemistry Letters 2026

View at publisher
Authors: Kristina K. Dikhtievskaya, Efim V. Argunov, Alexey Kartsev, Vyacheslav M. Silkin, Andrey S. Vasenko, Evgueni V. Chulkov
DOI: 10.1021/acs.jpclett.6c00772
Cited by: 1
References: 27

Abstract

In this study we revealed the effect of scandium doping on the electronic and superconducting properties of the MgB 2 compound. Calculations demonstrate that Sc substitutes for Mg atoms, acting as an electron donor. Mg substitution diminishes the density of states in the σ-band and attenuates the electron–phonon coupling, thereby elucidating the reduction in critical temperature. Simultaneously, Sc-induced microstructural defects serve as effective pinning centers, thereby improving the critical current density. The established separation of electronic and microstructural effects allows for the targeted modification of MgB 2 properties.

Fields of Study & Subjects

Superconductivity in MgB2 and Alloys Physics of Superconductivity and Magnetism Boron and Carbon Nanomaterials Research

Publication details

Journal / source
The Journal of Physical Chemistry Letters
Publisher
American Chemical Society (ACS)
Volume
17
Issue
17
Pages
4999–5004
Publication date
21 April 2026
Language
EN