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Tarsis M. Germano

Publications and source records attributed to Tarsis M. Germano.

2 recordsLinked to original sources

Benchtop Momentum-Resolved Phonon Spectroscopy: Unlocking Lattice Dynamics via X-ray Diffuse Scattering

Momentum-resolved phonon spectroscopy is essential for understanding the thermal, electronic, and structural properties of materials, yet it traditionally necessitates access to large-scale synchrotron or neutron facilities. We report a paradigm shift by demonstrating the accurate measurement and quantitative analysis of Thermal Diffuse Scattering (TDS) patterns using a commercially available benchtop Small/Wide-Angle X-ray Scattering (SAXS/WAXS) instrument. By utilizing a low-energy (8 keV) X-ray source and a custom-integrated vacuum geometry, we acquired characteristic TDS patterns in silicon (111) and (100) slabs. We demonstrate that these benchtop images contain sufficient information to extract interatomic force constants (IFCs) through global optimization algorithms, achieving a fitting accuracy comparable to those obtained from simulated data with statistical noise. Crucially, this capability provides access to phonon information across the entire Brillouin Zone, a critical component of lattice dynamics unavailable via standard laboratory techniques like first-order Raman spectroscopy. This low-barrier approach makes synchrotron-level lattice dynamics characterization accessible to virtually any research laboratory, enabling new avenues for the study of intrinsic strain and anisotropic lattice dynamics in emerging material systems.

cond-mat.mtrl-sci

Vibrational and structural properties of the $R$Fe$_{4}$Sb$_{12}$ ($R=$Na, K, Ca, Sr, Ba) filled skutterudites

Vibrational and elastic properties of the $R$Fe$_{4}$Sb$_{12}$ skutterudites are investigated by, respectively, temperature $(T)$ dependent extended X-ray absorption fine structure (EXAFS) and pressure $(P)$ dependent x-ray diffraction (XRD) experiments. The Fe $K$-edge EXAFS experiments of the $R=$ K, Ca and Ba materials were performed in the $T$-interval $6<T<300$ K and XRD experiments of the $R=$ Na, K, Ca, Sr and Ba materials were performed in the $P$-interval $1\text{ atm }<P<16$ GPa. From EXAFS, we obtained the correlated Debye-Waller parameters that were thus analyzed to extract effective spring constants connected with the Fe-$Y$ (where $Y=$ either $R$, Fe or Sb) scattering paths. Our findings suggest that in the case of the light cations, $R=$ K or Ca, the $R$ atoms are relatively weakly coupled to the cage, in a scenario reminiscent to the Einstein oscillators. From the XRD experiments, we obtained the bulk modulus $B_{0}$ for all $R=$Na, K, Ca, Sr and Ba materials, with values ranging from $77$ GPa ($R=$ K) to $R=99$ GPa ($R=$ Ba) as well as the compressibility $β$ as a function of $P$. The trend in $β$ as a function of the $R$ filler is discussed and it is shown that it does not correlate with simple geometrical considerations but rather with the filler-cage bonding properties.

cond-mat.mtrl-sci