Electrical transport properties of potassium germanide tungstates (K10Ge18WO4): A theoretical study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43923957" target="_blank" >RIV/49777513:23640/14:43923957 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1016/j.solidstatesciences.2014.03.014" target="_blank" >http://dx.doi.org/10.1016/j.solidstatesciences.2014.03.014</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.solidstatesciences.2014.03.014" target="_blank" >10.1016/j.solidstatesciences.2014.03.014</a>

Result language

angličtina

Original language name

Electrical transport properties of potassium germanide tungstates (K10Ge18WO4): A theoretical study

Original language description

The total and partial density of states, electronic charge density and optical properties of the monoclinic structure K10Ge18WO4 compound have been investigated using a full relativistic version of the fullpotential augmented plane-wave method based on the density functional theory, within local density approximation (LDA), generalized gradient approximation (GGA) and Engel-Vosko GGA (EVGGA). Density of states discloses the semiconductor nature of the calculated compound. There exists a strong hybridization between K-p and K-s,W-d and O-p, W-f and K-p. The analysis of the chemical bonding shows that the bonding possesses strong covalent nature. The dielectric optical properties were also calculated and discussed in detail. The electrical transport coefficients of the under observation compound have been investigated using the density functional theory calculation within EVGGA.

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

BE - Theoretical physics

OECD FORD branch

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Project

<a href="/en/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centre of the New Technologies and Materials</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2014

Confidentiality

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

Name of the periodical

Solid State Sciences

ISSN

1293-2558

e-ISSN

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Volume of the periodical

32

Issue of the periodical within the volume

červen 2014

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

9

Pages from-to

26-34

UT code for WoS article

000336826800005

EID of the result in the Scopus database

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