arXiv subjects

K. Prasai

Publications and source records attributed to K. Prasai.

7 recordsLinked to original sources

arXiv2026

Network Topology of Hafnia-Based Amorphous Optical Coatings by Grazing-Incidence X-ray Total Scattering and Atomic Modeling

Amorphous hafnia-based films are promising optical-coating materials for cryogenic GW detectors, but their performance depends on how doping and annealing modify the atomic network. We combine grazing-incidence X-ray total scattering measurements with experimentally constrained atomic modeling to study the as-deposited HfO$_2$ and 27% SiO$_2$-doped HfO$_2$ films annealed at 150$^\circ$C and 400$^\circ$C. Pure amorphous HfO$_2$ is a dense, high-coordination network of Hf-centered polyhedra with substantial edge- and face-sharing connectivity. Incorporating SiO$_2$ introduces stable SiO$_4$ tetrahedra, lowers the Hf and O coordination, and replaces highly connected Hf-rich oxygen environments with mixed Si--O--Hf bridges. This produces a chemically mixed network rather than isolated SiO$_2$-rich regions, and shifts the cation topology toward corner-sharing connectivity. Annealing to 400$^\circ$C produces only modest additional structural relaxation. These results provide an atomic-scale description of how SiO$_2$ modifies the topology of amorphous HfO$_2$-based coatings and suggest structural descriptors relevant to understanding their mechanical-loss behavior.

cond-mat.mtrl-sci↗

arXiv2026

Intrinsic Defects in Amorphous Optical Coatings of TiO$_2$-doped GeO$_2$ for Gravitational-wave Detectors

The increased laser power of future gravitational-wave detectors will require mirror coatings with optical absorption below 0.1 ppm per mirror. TiO$_2$-doped GeO$_2$, currently the best high-index material for reducing room-temperature coating thermal noise, still exhibits ppm-level absorption even after extrinsic contamination is minimized. Using ab-initio simulations and absorption measurements, we identify oxygen-deficient Ti-rich environments as the origin of this residual absorption. We find that ordinary structural disorder in the amorphous network can localize electronic states but does not produce defects capable of absorbing 1064-nm light. In contrast, oxygen vacancies in compact Ti-rich environments create localized Ti$^{3+}$--Ti$^{3+}$-like polaron-pair or mixed Ti-polaron states states with transitions near 1064 nm. Photothermal measurements show increased absorption after dry/inert annealing, supporting the formation of these reduction-sensitive defects. These results show that the residual absorption is not an intrinsic limitation of TiO$_2$-doped GeO$_2$, but a process-dependent defect that may be mitigated through control of oxygen stoichiometry during deposition and annealing.

cond-mat.mtrl-sci↗

arXiv2026

Atomic Structure of Amorphous Optical Coatings of TiO$_2$-doped GeO$_2$ by Grazing-Incidence Total X-ray Scattering Measurements

Reducing coating thermal noise in future gravitational-wave detectors requires identifying the atomic motifs that control mechanical loss in amorphous optical coatings. We combine grazing-incidence X-ray pair distribution function measurements with atomic-structure modeling to study amorphous TiO$_2$-doped GeO$_2$ films over Ti cation concentrations from $\sim$11 % to $\sim$48 %, before and after annealing. The structural analysis reveals systematic composition- and annealing-dependent changes in short- and intermediate-range order. Increasing Ti content raises the average Ti coordination and promotes edge- and face-sharing polyhedral connections, while Ge remains predominantly fourfold coordinated. Annealing reduces these compact shared-polyhedron motifs and sharpens the first sharp diffraction peak, indicating a more relaxed intermediate-range network. Among the structural descriptors examined, the clearest correlation with the annealing-induced reduction in mechanical loss is the decrease in edge- and face-sharing polyhedra. These results connect composition, annealing, atomic structure, and mechanical dissipation in TiO$_2$-doped GeO$_2$, providing microscopic guidance for optimizing low-noise mirror coatings.

cond-mat.mtrl-sci↗

arXiv2021

Exploration of co-sputtered Ta$_2$O$_5$-ZrO$_2$ thin films for gravitational-wave detectors

We report on the development and extensive characterization of co-sputtered tantala-zirconia thin films, with the goal to decrease coating Brownian noise in present and future gravitational-wave detectors. We tested a variety of sputtering processes of different energies and deposition rates, and we considered the effect of different values of cation ratio $η=$ Zr/(Zr+Ta) and of post-deposition heat treatment temperature $T_a$ on the optical and mechanical properties of the films. Co-sputtered zirconia proved to be an efficient way to frustrate crystallization in tantala thin films, allowing for a substantial increase of the maximum annealing temperature and hence for a decrease of coating mechanical loss. The lowest average coating loss was observed for an ion-beam sputtered sample with $η= 0.485 \pm 0.004$ annealed at 800 $^{\circ}$C, yielding $\overlineφ = 1.8 \times 10^{-4}$. All coating samples showed cracks after annealing. Although in principle our measurements are sensitive to such defects, we found no evidence that our results were affected. The issue could be solved, at least for ion-beam sputtered coatings, by decreasing heating and cooling rates down to 7 $^{\circ}$C/h. While we observed as little optical absorption as in the coatings of current gravitational-wave interferometers (0.5 parts per million), further development will be needed to decrease light scattering and avoid the formation of defects upon annealing.

physics.ins-det↗

arXiv2019

Structural origins of electronic conduction in amorphous copper-doped alumina

We perform an {\it ab initio} modeling of amorphous copper-doped alumina (a-Al$_2$O$_3$:Cu), a prospective memory material based on resistance switching, and study the structural origin of electronic conduction in this material. We generate molecular dynamics based models of a-Al$_2$O$_3$:Cu at various Cu-concentrations and study the structural, electronic and vibrational properties as a function of Cu-concentration. Cu atoms show a strong tendency to cluster in the alumina host, and metallize the system by filling the band gap uniformly for higher Cu-concentrations. We also study thermal fluctuations of the HOMO-LUMO energy splitting and observe the time evolution of the size of the band gap, which can be expected to have an important impact on the conductivity. We perform a numerical computation of conduction pathways, and show its explicit dependence on Cu connectivity in the host. We present an analysis of ion dynamics and structural aspects of localization of classical normal modes in our models.

cond-mat.dis-nn↗

arXiv2016

Solar Wind Charge Exchange contribution to the ROSAT All Sky Survey Maps

DXL (Diffuse X-ray emission from the Local Galaxy) is a sounding rocket mission designed to estimate the contribution of Solar Wind Charge eXchange (SWCX) to the Diffuse X-ray Background (DXB) and to help determine the properties of the Local Hot Bubble (LHB). The detectors are large-area thin-window proportional counters with a spectral response similar to that of the PSPC used in the ROSAT All Sky Survey (RASS). A direct comparison of DXL and RASS data for the same part of the sky viewed from quite different vantage points in the Solar system and the assumption of approximate isotropy for the Solar wind allowed us to quantify the SWCX contribution to all 6 RASS bands (R1-R7, excepting R3). We find that the SWCX contribution at l=140 deg, b=0 deg, where the DXL path crosses the Galactic plane is 33%+-6% (statistical)+-12%(systematic) for R1, 44%+-\%+-5% for R2, 18%+-12%+-11% for R4, 14%+-11%+-9% for R5, and negligible for R6 and R7 bands. Reliable models for the distribution of neutral H and He in the Solar system permit estimation of the contribution of interplanetary SWCX emission over the the whole sky and correction of the RASS maps. We find that the average SWCX contribution in the whole sky is 26%+-6%+-13% for R1, 30%+-4%+-4% for R2, 8%+-5%+-5% for R4, 6%+-4%+-4% for R5, and negligible for R6 and R7.

astro-ph.HE↗

arXiv2011

DXL: a sounding rocket mission for the study of solar wind charge exchange and local hot bubble X-ray emission

The Diffuse X-rays from the Local galaxy (DXL) mission is an approved sounding rocket project with a first launch scheduled around December 2012. Its goal is to identify and separate the X-ray emission generated by solar wind charge exchange from that of the local hot bubble to improve our understanding of both. With 1,000 cm2 proportional counters and grasp of about 10 cm2 sr both in the 1/4 and 3/4 keV bands, DXL will achieve in a 5-minute flight what cannot be achieved by current and future X-ray satellites.

astro-ph.SR↗