Dataset - B2FIND

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

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...
Importance of intersite Hubbard interactions in β-MnO2: A first-principles DF...

We present a first-principles investigation of the structural, electronic, and magnetic properties of pyrolusite (β-MnO2) using conventional and extended Hubbard-corrected...
Electronic structure and magnetism of pristine and Fe-doped α-MnO₂ from densi...

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...

You can also access this registry using the API (see API Docs).

3 datasets found