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19992019
most citedElectronic structure and thermoelectric properties of n- and p-type SnSe from first principles calculations

177 citations · 554 across the 24 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

12 papers · 1 filter

cond-mat.mtrl-sci2019★ 17 cited

Identification of ferrimagnetic orbitals preventing spinel degradation by charge ordering in LiMnO

Hasnain Hafiz, Kosuke Suzuki, Bernardo Barbiellini +10

Spinel LiMnO is a key cathode material that is used extensively in commercial Li-ion batteries. A challenge with this material has been that the capacity of the battery…

cond-mat.mtrl-sci2019★ 16 cited

Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl

Gregory M. Stephen, Christopher Lane, Gianina Buda +5

The spin-filter material CrVTiAl is a promising candidate for producing highly spin-polarized currents at room temperature in a nonmagnetic architecture. Thin films of compensated-…

cond-mat.mtrl-sci2019★ 16 cited

Structural and electronic properties of the spin-filter material CrVTiAl with disorder

Gregory M. Stephen, Gianina Buda, Michelle E. Jamer +7

The effects of chemical disorder on the transport properties of the spin-filter material CrVTiAl are investigated experimentally and theoretically. Synchrotron X-ray diffraction ex…

cond-mat.mtrl-sci2015★ 51 cited

Extracting the Redox Orbitals in Li Battery Materials with High-Resolution X-Ray Compton Scattering Spectroscopy

K. Suzuki, B. Barbiellini, Y. Orikasa +10

We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution x-ray Compton scattering…

cond-mat.mtrl-sci2015★ 177 cited

Electronic structure and thermoelectric properties of n- and p-type SnSe from first principles calculations

K. Kutorasinski, B. Wiendlocha, S. Kaprzyk +1

We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic - and -type SnSe, applying Korringa-Kohn-Rostoke…

cond-mat.mtrl-sci2004★ 5 cited

Electronic structure and magnetic properties of RMnX (R= Mg, Ca, Sr, Ba, Y; X= Si, Ge) studied by KKR method

V. Klosek, J. Tobola, A. Verniere +2

Electronic structure calculations, using the charge and spin self-consistent Korringa- Kohn-Rostoker (KKR) method, have been performed for several Mn compounds ( = Mg, Ca,…