arXiv subjects

Keijo Hämäläinen

Publications and source records attributed to Keijo Hämäläinen.

6 recordsLinked to original sources

arXiv2018

The isotropic Compton profile difference across the phase transition of VO$_2$

We studied the isotropic Compton profile of the prototypical oxide VO$_2$ across the temperature induced electronic and structural phase transition at T$_C$ $\approx$ 340 K. We show that the phase transition leaves an observable signal, which facilitates Compton scattering studies of electronic structure and phase transitions in complex solids in powder form. We compare the experimental results with density functional theory calculations and find agreement in the shape of the difference profile, although the amplitude of the observed features is overestimated. The origin of the disagreement is discussed and we argue that it mainly originates mostly correlation effects beyond our current calculations and possibly to some extent, from thermal motion.

cond-mat.str-el↗

arXiv2017

Resonant X-ray Emission Spectroscopy With a Standing Wave Excitation

The Borrmann effect is the anomalous transmission of x rays in perfect crystals under diffraction conditions. It arises from the interference of the incident and diffracted waves, which creates a standing wave with nodes at strongly absorbing atoms. Dipolar absorption of x rays is thus diminished, which makes the crystal nearly transparent for certain x-ray wave vectors. Indeed, a relative enhancement of electric quadrupole absorption via the Borrmann effect has been demonstrated recently. Here we show that the Borrmann effect has a significantly larger impact on resonant x-ray emission than is observable in x-ray absorption. Emission from a dipole forbidden intermediate state may even dominate the corresponding x-ray spectra. Our work extends the domain of x-ray standing wave methods to resonant x-ray emission spectroscopy and provides means for novel spectroscopic experiments in d- and f-electron systems.

cond-mat.mtrl-sci↗

arXiv2015

Multi-resolution parameter choice method for total variation regularized tomography

A computational method is introduced for choosing the regularization parameter for total variation (TV) regularization. The approach is based on computing reconstructions at a few different resolutions and various values of regularization parameter. The chosen parameter is the smallest one resulting in approximately discretization-invariant TV norms of the reconstructions. The method is tested with X-ray tomography data measured from a walnut and compared to the S-curve method. The proposed method seems to automatically adapt to the desired resolution and noise level, and it yields useful results in the tests. The results are comparable to those of the S-curve method; however, the S-curve method needs a priori information about the sparsity of the unknown, while the proposed method does not need any a priori information (apart from the choice of a desired resolution). Mathematical analysis is presented for (partial) understanding of the properties of the proposed parameter choice method. It is rigorously proven that the TV norms of the reconstructions converge with any choice of regularization parameter.

math.NA↗

arXiv2015

Tomographic X-ray data of a walnut

This is the documentation of the tomographic X-ray data of a walnut made available at http://www.fips.fi/dataset.php . The data can be freely used for scientific purposes with appropriate references to the data and to this document in arXiv. The data set consists of (1) the X-ray sinogram of a single 2D slice of the walnut with three different resolutions and (2) the corresponding measurement matrices modeling the linear operation of the X-ray transform. Each of these sinograms was obtained from a measured 120-projection fan-beam sinogram by down-sampling and taking logarithms. The original (measured) sinogram is also provided in its original form and resolution. In addition, a larger set of 1200 projections of the same walnut was measured and a high-resolution filtered back-projection reconstruction was computed from this data; both the sinogram and the FBP reconstruction are included in the data set, the latter serving as a ground truth reconstruction.

physics.data-an↗

arXiv2012

Momentum distribution and Compton profile by the ab initio GW approximation

We present two possible approaches to calculate the momentum distribution n(p) and the Compton profile within the framework of the ab initio GW approximation on the self-energy. The approaches are based on integration of the Green's function along either the real or the imaginary axes. Examples will be presented on the jellium model and on real bulk sodium. Advantages and drawbacks of both methods are discussed in comparison with accurate quantum Monte Carlo (QMC) calculations and x-ray Compton scattering experiments. We illustrate the effect of many-body correlations and disentangle them from band-structure and anisotropy effects by a comparison with density functional theory in the local density approximation. Our results suggest the use of G0W0 momentum distributions as reference for future experiments and theory developments.

cond-mat.other↗

arXiv2010

Momentum Distribution and Renormalization Factor in Sodium and the Electron Gas

We present experimental and theoretical results on the momentum distribution and the quasiparticle renormalization factor in sodium. From an x-ray Compton-profile measurement of the valence-electron momentum density, we derive its discontinuity at the Fermi wavevector. This yields an accurate measure of the renormalization factor that we compare with quantum Monte Carlo and GW calculations performed both on crystalline sodium and on the homogeneous electron gas. Our calculated results are in good agreement with the experiment.

cond-mat.other↗