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

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

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

Name of the periodical

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

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Volume of the periodical

53

Issue of the periodical within the volume

21

Country of publishing house

US - UNITED STATES

Number of pages

10

Pages from-to

11699-11709

UT code for WoS article

000344307400039

EID of the result in the Scopus database

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