X-ray characterization, electronic band structure, and thermoelectric properties of the cluster compound Ag2Tl2Mo9Se11.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F14%3A00435962" target="_blank" >RIV/68378271:_____/14:00435962 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/ic501939k" target="_blank" >http://dx.doi.org/10.1021/ic501939k</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/ic501939k" target="_blank" >10.1021/ic501939k</a>

Jazyk výsledku

angličtina

Název v původním jazyce

X-ray characterization, electronic band structure, and thermoelectric properties of the cluster compound Ag2Tl2Mo9Se11.

Popis výsledku v původním jazyce

We report on a detailed investigation of the crystal and electronic band structures and of the transport and thermodynamic properties of the Mo-based cluster compound Ag2Tl2Mo9Se11.This novel structure type crystallizes in the trigonal space group R3-c and is built of a three-dimensional network of interconnected Mo9Se11 units. Single-crystal X-ray diffraction indicates that the Ag and Tl atoms are distributed in the voids of the cluster framework, both of which show unusually large anisotropic thermalellipsoids indicative of strong local disorder. First-principles calculations show a weakly dispersive band structure around the Fermi level as well as a semiconducting ground state. The former feature naturally explains the presence of both hole-like and electron-like signals observed in Hall effect.

Název v anglickém jazyce

X-ray characterization, electronic band structure, and thermoelectric properties of the cluster compound Ag2Tl2Mo9Se11.

Popis výsledku anglicky

We report on a detailed investigation of the crystal and electronic band structures and of the transport and thermodynamic properties of the Mo-based cluster compound Ag2Tl2Mo9Se11.This novel structure type crystallizes in the trigonal space group R3-c and is built of a three-dimensional network of interconnected Mo9Se11 units. Single-crystal X-ray diffraction indicates that the Ag and Tl atoms are distributed in the voids of the cluster framework, both of which show unusually large anisotropic thermalellipsoids indicative of strong local disorder. First-principles calculations show a weakly dispersive band structure around the Fermi level as well as a semiconducting ground state. The former feature naturally explains the presence of both hole-like and electron-like signals observed in Hall effect.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

—

Svazek periodika

53

Číslo periodika v rámci svazku

21

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

11699-11709

Kód UT WoS článku

000344307400039

EID výsledku v databázi Scopus

—