Pressure-induced structural and electronic phase transitions in GaGeTe

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00582995" target="_blank" >RIV/61388955:_____/24:00582995 - isvavai.cz</a>

Výsledek na webu

<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.054107" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.054107</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.109.054107" target="_blank" >10.1103/PhysRevB.109.054107</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Pressure-induced structural and electronic phase transitions in GaGeTe

Popis výsledku v původním jazyce

Chalcogenide-based compounds are an important part of the family of layered materials, extensively studied for their two-dimensional properties. An interesting line of investigation relates to the evolution of their properties with hydrostatic pressure, which could lead to structural transitions and itinerant electronic behavior. Here, we investigate the evolution of a layered ternary compound GaGeTe as a function of pressure with x-ray diffraction, Raman and infrared spectroscopy, and ab initio calculations. The Ge layer retains a germanenelike vibration though enveloped in Ga and Te layers. We show experimental and theoretical evidence of metallization in two steps. At ∼6 GPa Raman and infrared spectroscopic data undergo changes compatible with delocalized charge carriers. Calculations ascribe this to the Fermi-level crossing of a valence band. At ∼16 GPa infrared transmission and Raman modes disappear and x-ray diffraction signals a structural transition to a phase which is metallic according to our calculations. We obtain consistent agreement between experiment and theory concerning the structural, vibrational, and electronic structure evolution with pressure.

Název v anglickém jazyce

Pressure-induced structural and electronic phase transitions in GaGeTe

Popis výsledku anglicky

Chalcogenide-based compounds are an important part of the family of layered materials, extensively studied for their two-dimensional properties. An interesting line of investigation relates to the evolution of their properties with hydrostatic pressure, which could lead to structural transitions and itinerant electronic behavior. Here, we investigate the evolution of a layered ternary compound GaGeTe as a function of pressure with x-ray diffraction, Raman and infrared spectroscopy, and ab initio calculations. The Ge layer retains a germanenelike vibration though enveloped in Ga and Te layers. We show experimental and theoretical evidence of metallization in two steps. At ∼6 GPa Raman and infrared spectroscopic data undergo changes compatible with delocalized charge carriers. Calculations ascribe this to the Fermi-level crossing of a valence band. At ∼16 GPa infrared transmission and Raman modes disappear and x-ray diffraction signals a structural transition to a phase which is metallic according to our calculations. We obtain consistent agreement between experiment and theory concerning the structural, vibrational, and electronic structure evolution with pressure.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GX20-08633X" target="_blank" >GX20-08633X: ÅrchitektRonika dvoudimenzionálních krystalů se synergií chirálních elektrochemických a optoelektronických konceptů na Å- škále</a><br>

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

109

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

054107

Kód UT WoS článku

001200491500001

EID výsledku v databázi Scopus

2-s2.0-85185390392