Pivotal role of intersite Hubbard interactions in Fe-doped α-MnO₂

Name: Pivotal role of intersite Hubbard interactions in Fe-doped α-MnO₂
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B2FIND2026-04-11 收录

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资源简介：

We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped α-MnO₂ using density-functional theory with...