Division of Materials Theory

cover page Chem Science.
Cover page Chem Science.
DNA threaded through graphene nano electrodes in water solution.
DNA threaded through graphene nano electrodes in water solution.
Double functionalized gold electrodes docking onto a DNA nucleotide.
Double functionalized gold electrodes docking onto a DNA nucleotide.
Magnetic multipoles Np02.
Magnetic multipoles Np02.
Magnetization dens Coporphyrin NO Ni.
Magnetization dens Coporphyrin NO Ni.
Magnetization-density-porphyrin-Ni111.
Magnetization-density-porphyrin-Ni111.
A switching diagram for the synthetic antiferromagnet Fe3/Cr4/Fe3. The phase diagram shows the z component of the average magnetization of one Fe layer in color code. The red/blue coloring indicates areas where switching has occurred/has not occurred.
A switching diagram for the synthetic antiferromagnet Fe3/Cr4/Fe3. The phase diagram shows the z component of the average magnetization of one Fe layer in color code. The red/blue coloring indicates areas where switching has occurred/has not occurred.
Dynamical structure factor S(q,w) obtained from atomistic spin-dynamics simulations of 8 ML Co=Cu(001). Top left: Magnon spectrum calculated at 1K. Bottom left: Magnon spectrum calculated at 300K. Right: Profile of S(q,w) for selected values of q.
Dynamical structure factor S(q,w) obtained from atomistic spin-dynamics simulations of 8 ML Co=Cu(001). Top left: Magnon spectrum calculated at 1K. Bottom left: Magnon spectrum calculated at 300K. Right: Profile of S(q,w) for selected values of q.
Geometries of amorphous graphene as calculated by the stochastic quenching method. (a) Top view of the basic planar structure. Hexagonal rings are marked with blue and pentagonal rings are marked in red. (b) Top view of the final planar geometry. (c) Top view of the buckled geometry. (d) Side view of the buckled geometry. The distance from left to right in (d) is 41Å and the buckling amplitude about 1.7Å.
Geometries of amorphous graphene as calculated by the stochastic quenching method. (a) Top view of the basic planar structure. Hexagonal rings are marked with blue and pentagonal rings are marked in red. (b) Top view of the final planar geometry. (c) Top view of the buckled geometry. (d) Side view of the buckled geometry. The distance from left to right in (d) is 41Å and the buckling amplitude about 1.7Å.
Spectral function of the TM 3d states (thick black lines) and O 2p states (dashed red lines) in NiO, using exact diagonalization and dynamical mean field theory. Experiments in open circles. The Fermi level is at zero energy.
Spectral function of the TM 3d states (thick black lines) and O 2p states (dashed red lines) in NiO, using exact diagonalization and dynamical mean field theory. Experiments in open circles. The Fermi level is at zero energy.
Phonon dispersion in Ni<sub />0.5Pt<sub>0.5</sub> alloy computed by SQS-ICPA (solid line), SCPA (dotted line) and empirical-ICPA (red diamonds). The circles indicate the experimental results. The shaded regions indicate the disorder-induced widths calculated by the SQS-ICPA.
Phonon dispersion in Ni0.5Pt0.5 alloy computed by SQS-ICPA (solid line), SCPA (dotted line) and empirical-ICPA (red diamonds). The circles indicate the experimental results. The shaded regions indicate the disorder-induced widths calculated by the SQS-ICPA.
Mn K edge NEXAFS of the manganese catalytic site for water oxidation in photosystem II.
Mn K edge NEXAFS of the manganese catalytic site for water oxidation in photosystem II.
Monolayer of metal-free phthalocyanine on Au(111).
Monolayer of metal-free phthalocyanine on Au(111).
Spin manipulation of iron porphyrin (FeP) molecule on strained graphene.
Spin manipulation of iron porphyrin (FeP) molecule on strained graphene.
Magnetization density to show the orbitals taking part in the exchange interaction between iron porphyrin and the metallic (Co 001) substrate.
Magnetization density to show the orbitals taking part in the exchange interaction between iron porphyrin and the metallic (Co 001) substrate.
cover page Chem Science
Reconstructed edge GNR with 2H termination and magnetization density for Fe doped reconstructed edge GNR.
Reconstructed edge GNR with 2H termination and magnetization density for Fe doped reconstructed edge GNR.
Geometries and magnetization density of Fe<sub />n clusters on Graphene with V<sub>z</sub> vacancies.
Geometries and magnetization density of Fen clusters on Graphene with Vz vacancies.
Crystal structure of Fe<sub />2P, a compound with huge magnetic anisotropy.
Crystal structure of Fe2P, a compound with huge magnetic anisotropy.
Trajectories of the 16 Co atoms macrospin, in the magnetocrystalline anisotropy energy landscape, under the influence of a 1 T (yellow/light-colored line), 1.5 T (black line), and 2 T (red/gray-colored line) external field, respectively. The color scale indicates the strength of the anisotropy energy (mRyd), showing that θ = 90° represents the hard-magnetization plane (i.e., the island’s plane).
Trajectories of the 16 Co atoms macrospin, in the magnetocrystalline anisotropy energy landscape, under the influence of a 1 T (yellow/light-colored line), 1.5 T (black line), and 2 T (red/gray-colored line) external field, respectively. The color scale indicates the strength of the anisotropy energy (mRyd), showing that θ = 90° represents the hard-magnetization plane (i.e., the island’s plane).

Welcome to the Division of Materials Theory in the Department of Physics and Astronomy at Uppsala University. Our research activities cover a wide range of topics within materials and condensed matter physics, including magnetism, superconductivity, the physics of the Earth's deep interior, nanoscale physics, hydrogen storage and biological physics.

Click on the tabs above to have a closer look at our research.

more