P. Blöchl

activity

20002026

most citedImplementation of the Projector Augmented Wave LDA+U Method: Application to the Electronic Structure of NiO

575 citations · 827 across the 16 of their papers we have counts for

collaborators

Showing 2015Show all

3 papers · 1 filter

cond-mat.mes-hall2015★ 1 cited

Beam matching: a method to study phonon transport through interfaces and multilayer structures

Debanjan Basu, Peter Blöchl

Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer str…

cond-mat.str-el2015★ 34 cited

Reduced density-matrix functionals applied to the Hubbard dimer

Ebad Kamil, Robert Schade, Thomas Pruschke +1

Common density-matrix functionals, the Müller and the power functional, have been benchmarked for the half-filled Hubbard dimer, which allows to model the bond dissociation problem…

cond-mat.mtrl-sci2015★ 1 cited

Electronic structure and spin polarization of Fe $_{1 - x}$ Mn(Co,Ni) $_{x}$ S $_{2}$ alloys from first principles

Abdesalem Houari, Peter E. Blöchl

Alloying effects by T=Mn,Co,Ni-substitution on FeS $_{2}$ have been investigated using density-functional calculations. The ferromagnetic alloys Fe $_{1 - x}$ T $_{x}$ S $_{2}$ have been investi…

Beam matching: a method to study phonon transport through interfaces and multilayer structures

Reduced density-matrix functionals applied to the Hubbard dimer

Electronic structure and spin polarization of Fe1−x​Mn(Co,Ni)x​S2​ alloys from first principles

Electronic structure and spin polarization of Fe $_{1 - x}$ Mn(Co,Ni) $_{x}$ S $_{2}$ alloys from first principles