arXiv subjects

Čestmír Drašar

Publications and source records attributed to Čestmír Drašar.

5 recordsLinked to original sources

arXiv2026

Optimizing high-temperature electron mobility in single-crystal Bi$_2$O$_2$Se based on its unconventional dependence on concentration

Quasi-2D Bi$_2$O$_2$Se is part of an intensive materials research effort aimed at finding new semiconductors that outperform silicon-based electronics in terms of speed and power consumption. This material exhibits exceptionally high carrier mobility at low temperatures but mediocre mobility at 300 K. Its high mobility is generally associated with its high permittivity ($\varepsilon_r$~500), which is also associated with metallicity persisting down to very low carrier concentrations. This material exhibits a counterintuitive increase in carrier mobility as the concentration increases. The connection between low both carrier concentration and mobility in Se-rich conditions, and both high carrier concentration and mobility in Se-poor conditions suggests that the increase is related to native defects. We demonstrate that these defects can alter the effective mass of charge carriers. Specifically, substitutional Se(Bi) defects, which appear under Se-rich conditions, destroy the Bi$_2$O$_2$ channel and compromise charge transport properties. These defects increase the effective mass of charge carriers transforming the original semiconductor into a semimetal and introducing holes into charge transport. Additionally, we show that single crystals are generally inhomogeneous, particularly those grown under Se-rich conditions. Unlike Se-poor conditions, Se-rich conditions induce a higher concentration of dislocations and extraneous phases. These findings suggest that the perfection of the Bi$_2$O$_2$ channel is crucial for mobility, particularly at room temperature.

cond-mat.mtrl-sci↗

arXiv2026

Phonon properties and unconventional heat transfer in quasi-2D $Bi_2O_2Se$ crystal

Bi2O2Se belongs to a group of quasi-2D semiconductors that can replace silicon in future high-speed/low-power electronics. However, the correlation between crystal/band structure and other physical properties still eludes understanding: carrier mobility increases non-intuitively with carrier concentration; the observed $T^2$ temperature dependence of resistivity lacks explanation. Moreover, a very high relative out-of-plane permittivity of about 150 has been reported in the literature. A proper explanation for such a high permittivity is still lacking. We have performed infrared (IR) reflectivity and Raman scattering experiments on a large perfect single crystal with defined mosaicity, carrier concentration and mobility. Five of the eight phonons allowed by factor group theory have been observed and their symmetries determined. The IR spectra show that the permittivity measured in the tetragonal plane is as high as $ε_r{\approx}500$, and this high value is due to a strong polar phonon with a low frequency of ~34 $cm^{-1}$ (~1 THz). Such an unusually high permittivity allows the screening of charge defects, leading to the observation of high electron mobility at low temperatures. It also allows effective modulation doping providing a platform for high performance 2D electronics. DFT calculations suggest the existence of a very low frequency acoustic phonon ~14 $cm^{-1}$ (~0.4 THz). Both the low frequency phonons cause anomalous phonon DOS, which is reflected in the unconventional temperature dependence of the heat capacity, $c_M{\approx}T^{3.5}$. The temperature-dependent, two-component group velocity is proposed to explains the unusual temperature dependence of the thermal conductivity, $κ{\approx}T^{1.5}$

cond-mat.mtrl-sci↗

arXiv2026

Fe-DCA Metal-Organic Frameworks on the Bi2Se3(0001) Topological Insulator Surface

The formation of two-dimensional metal-organic frameworks (MOFs) on an inert surface of a topological insulator (TI) is a pathway to engineer quantum materials with exotic properties. MOFs featuring ferromagnetically coupled metal atoms are theoretically predicted to induce an exchange gap in the TI surface band structure, potentially leading to a quantum anomalous Hall effect. However, achieving ordered MOFs on TI surfaces remains challenging due to the limited knowledge of self-assembly on these substrates. In this paper, we demonstrate self-assembly of Fe atoms and dicyanoanthracene (DCA) molecules into 2D MOFs on the Bi2Se3(0001) surface at room temperature, investigated via a combination of low-energy electron microscopy and diffraction (LEEM/LEED), scanning tunneling microscopy (STM), and ab initio calculations based on density functional theory (DFT). Two competing Fe-DCA phases form. The first phase corresponds to a close-packed Fe1DCA3 structure. In contrast, the second phase exhibits a larger unit cell with no match to either known or DFT-calculated systems, indicating a more complex bonding environment. These findings advance the understanding of the growth of MOFs on a strong topological insulator surface and provide insights for designing MOFs/TI interfaces with tailored electronic and magnetic properties.

cond-mat.mtrl-sci↗

arXiv2025

The preparation and properties of polycrystalline Bi$_2$O$_2$Se -- pitfalls and difficulties with reproducibility and charge transport limiting parameters

Thermoelectric materials allow the direct conversion of waste heat into electricity, and novel materials are being investigated for this purpose. Recently, doped Bi$_2$O$_2$Se has shown high application potential. In this study, we discuss causes for large variation in reported transport properties of pure Bi$_2$O$_2$Se and present a preparation method that improves the reproducibility of undoped polycrystalline samples and improves their stability under thermal cycling. Key steps of this method include calcination of the Bi$_2$O$_3$ precursor, purification of the synthesized material in a temperature gradient, use of a coarse particle fraction and compaction of the powders in a Si3N4 die instead of a graphite die. The resulting polycrystalline material exhibits improved reproducibility and enhanced resistance to thermal cycling. It has room temperature electrical conductivity σRT ~ 500 S.m-1 and Seebeck coefficient S ~ -300 $μ$V.K$^{-1}$. These properties make it suitable as a reference material for future doping studies. The presented synthesis approach may provide a more reliable platform for investigating the intrinsic behavior and doping response of Bi$_2$O$_2$Se in thermoelectric applications.

cond-mat.mtrl-sci↗

arXiv2023

Structural, Vibrational, and Electronic Behavior of Two GaGeTe Polymorphs under compression

GaGeTe is a layered topological semimetal that has been recently found to exist in at least two different polytypes, $α$-GaGeTe ($R\bar{3}m$) and $β$-GaGeTe ($P6_3 mc$). Here we report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of these two polytypes at high pressure. Both polytypes show anisotropic compressibility and two phase transitions, above 7 and 15 GPa, respectively, as confirmed by XRD and Raman spectroscopy measurements. Although the nature of the high-pressure phases is not confirmed, comparison with other chalcogenides and total-energy calculations allow us to propose possible high-pressure phases for both polytypes with an increase in coordination for Ga and Ge atoms from 4 to 6. In particular, the simplification of the X-ray patterns for both polytypes above 15 GPa suggests a transition to a structure of relatively higher symmetry than the original one. This result is consistent with the rocksalt-like high-pressure phases observed in parent III-VI semiconductors, such as GaTe, GaSe, and InSe. Pressure-induced amorphization is observed upon pressure release. The electronic band structures of $α$-GaGeTe and $β$-GaGeTe and their pressure dependence also show similarities to III-VI semiconductors, thus suggesting that the germanene-like sublayer induces a semimetallic character in both GaGeTe polytypes. Above 3 GPa, both polytypes lose their topological features, due to the opening of the direct band gap, while the reduction of the interlayer space increases the thermal conductivity at high pressure.

cond-mat.mtrl-sci↗