_version_ 1866908831554994176
author Kothalawala, Veenavee Nipunika
Suzuki, Kosuke
Nokelainen, Johannes
Makkonen, Ilja
West, Erica
Roininen, Lassi
Leinonen, Jere
Tynjälä, Pekka
Laine, Petteri
Välikangas, Juho
Lassi, Ulla
Devi, Assa Aravindh Sasikala
Alatalo, Matti
Mizuno, Yuki
Tsuji, Naruki
Usami, Hikaru
Nagasaki, Yuju
Takami, Tsuyoshi
Sakurai, Yoshiharu
Sakurai, Hiroshi
Babar, Mohammad
Vishwanathan, Venkat
Bansil, Arun
Barbiellini, Bernardo
author_facet Kothalawala, Veenavee Nipunika
Suzuki, Kosuke
Nokelainen, Johannes
Makkonen, Ilja
West, Erica
Roininen, Lassi
Leinonen, Jere
Tynjälä, Pekka
Laine, Petteri
Välikangas, Juho
Lassi, Ulla
Devi, Assa Aravindh Sasikala
Alatalo, Matti
Mizuno, Yuki
Tsuji, Naruki
Usami, Hikaru
Nagasaki, Yuju
Takami, Tsuyoshi
Sakurai, Yoshiharu
Sakurai, Hiroshi
Babar, Mohammad
Vishwanathan, Venkat
Bansil, Arun
Barbiellini, Bernardo
contents We discuss electronic and magnetic properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$, a promising Na-ion battery cathode material. Using x-ray Compton scattering, SQUID magnetometry, and density-functional-theory based modeling, we probe how electrons and spins evolve during sodiation. By comparing Compton profiles of sodiated and desodiated samples, we show that oxygen 2$p$ orbitals drive the redox process, while transition-metal 3$d$ electrons become more delocalized, explaining the metallic phase at $x=2/3$. These profile differences define a quantitative descriptor for the sodiation range associated with improved conductivity. Electron holes on oxygen, reflected in oxygen magnetization, confirm the important role of oxygen in the electrochemical activity of the cathode.
format Preprint
id arxiv_https___arxiv_org_abs_2602_12378
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Investigating the Electronic and Magnetic Properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$ Cathode Materials with X-ray Compton Scattering
Kothalawala, Veenavee Nipunika
Suzuki, Kosuke
Nokelainen, Johannes
Makkonen, Ilja
West, Erica
Roininen, Lassi
Leinonen, Jere
Tynjälä, Pekka
Laine, Petteri
Välikangas, Juho
Lassi, Ulla
Devi, Assa Aravindh Sasikala
Alatalo, Matti
Mizuno, Yuki
Tsuji, Naruki
Usami, Hikaru
Nagasaki, Yuju
Takami, Tsuyoshi
Sakurai, Yoshiharu
Sakurai, Hiroshi
Babar, Mohammad
Vishwanathan, Venkat
Bansil, Arun
Barbiellini, Bernardo
Materials Science
We discuss electronic and magnetic properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$, a promising Na-ion battery cathode material. Using x-ray Compton scattering, SQUID magnetometry, and density-functional-theory based modeling, we probe how electrons and spins evolve during sodiation. By comparing Compton profiles of sodiated and desodiated samples, we show that oxygen 2$p$ orbitals drive the redox process, while transition-metal 3$d$ electrons become more delocalized, explaining the metallic phase at $x=2/3$. These profile differences define a quantitative descriptor for the sodiation range associated with improved conductivity. Electron holes on oxygen, reflected in oxygen magnetization, confirm the important role of oxygen in the electrochemical activity of the cathode.
title Investigating the Electronic and Magnetic Properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$ Cathode Materials with X-ray Compton Scattering
topic Materials Science
url https://arxiv.org/abs/2602.12378