Vacancy-induced pseudogap formation in antiferromagnetic Cr0.86ZnSb

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F24%3A00600562" target="_blank" >RIV/68081723:_____/24:00600562 - isvavai.cz</a>

Výsledek na webu

<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.110.195124" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.110.195124</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.110.195124" target="_blank" >10.1103/PhysRevB.110.195124</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Vacancy-induced pseudogap formation in antiferromagnetic Cr0.86ZnSb

Popis výsledku v původním jazyce

Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify a vacancy-induced pseudogap formation in antiferromagnetic Cr0.86ZnSb. Cr1−xZnSb alloys were studied combining efforts of density functional theory (DFT) calculations and experimental methods to elucidate the effect of vacancies. Detailed analyses (x-ray powder and single-crystal diffraction, transmission and secondary scanning electron microscopy) of Cr1−xZnSb, 0 < x < 0.20, prompts Cr0.86ZnSb as the only stable compound, crystallizing with the MnAlGe type structure. From DFT calculations, an antiferromagnetic spin configuration of Cr local magnetic moments was found to be favorable for both the perfectly stoichiometric compound CrZnSb as well as for Cr0.875ZnSb. Magnetic order is observed experimentally for Cr0.86ZnSb by temperature- and field-dependent magnetizationnmeasurements, revealing a magnetic phase transition near 220 K, which is corroborated by zero-field muon spin relaxation studies. Thermoelectric transport properties exhibit distinct maxima in the temperature-dependent Seebeck coefficient and electrical resistivity at around 190 K. Analyzing the measured data on the basis of antriple parabolic band model and DFT simulations, their characteristic features are traced back to a pseudogap in the electronic structure arising from a particular vacancy arrangement. These findings offer valuable insights into the role of vacancies in defect materials, contributing to the broader understanding of structural defects and their impact on the electronic structure.

Název v anglickém jazyce

Vacancy-induced pseudogap formation in antiferromagnetic Cr0.86ZnSb

Popis výsledku anglicky

Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify a vacancy-induced pseudogap formation in antiferromagnetic Cr0.86ZnSb. Cr1−xZnSb alloys were studied combining efforts of density functional theory (DFT) calculations and experimental methods to elucidate the effect of vacancies. Detailed analyses (x-ray powder and single-crystal diffraction, transmission and secondary scanning electron microscopy) of Cr1−xZnSb, 0 < x < 0.20, prompts Cr0.86ZnSb as the only stable compound, crystallizing with the MnAlGe type structure. From DFT calculations, an antiferromagnetic spin configuration of Cr local magnetic moments was found to be favorable for both the perfectly stoichiometric compound CrZnSb as well as for Cr0.875ZnSb. Magnetic order is observed experimentally for Cr0.86ZnSb by temperature- and field-dependent magnetizationnmeasurements, revealing a magnetic phase transition near 220 K, which is corroborated by zero-field muon spin relaxation studies. Thermoelectric transport properties exhibit distinct maxima in the temperature-dependent Seebeck coefficient and electrical resistivity at around 190 K. Analyzing the measured data on the basis of antriple parabolic band model and DFT simulations, their characteristic features are traced back to a pseudogap in the electronic structure arising from a particular vacancy arrangement. These findings offer valuable insights into the role of vacancies in defect materials, contributing to the broader understanding of structural defects and their impact on the electronic structure.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

110

Číslo periodika v rámci svazku

19

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

16

Strana od-do

195124

Kód UT WoS článku

001356596600003

EID výsledku v databázi Scopus

2-s2.0-85209744958