Comparing half-metallic, MOKE, and thermoelectric behavior of the CrTiZ (Z = As, P) half-Heuslers: a DFT study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F21%3APU141892" target="_blank" >RIV/00216305:26620/21:PU141892 - isvavai.cz</a>
Result on the web
<a href="https://iopscience.iop.org/article/10.1088/2053-1591/abf6fd" target="_blank" >https://iopscience.iop.org/article/10.1088/2053-1591/abf6fd</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/2053-1591/abf6fd" target="_blank" >10.1088/2053-1591/abf6fd</a>
Alternative languages
Result language
angličtina
Original language name
Comparing half-metallic, MOKE, and thermoelectric behavior of the CrTiZ (Z = As, P) half-Heuslers: a DFT study
Original language description
Structural, half-metallic, magneto-optic, and thermoelectric properties of CrTiZ (Z = As, P) half-Heusleres compounds are investigated based on density functional theory. These compounds have mechanical stability in the ferromagnetic state with a high bulk modulus. They are often half-metallic with a large and integer magnetic moment and are very attractive in spintronics, magneto-optics applications. The magnetic moments of CrTiAs and CrTiP were 2.9865 mu (B) and 3.00 mu (B), respectively, which were attributed to their ferromagnetic phase. Additionally, the positive sign of the phonon branches indicates the dynamic stability of these compounds. Applying both GGA and mBJ approximations, CrTiAs and CrTiP compounds exhibited a half-metallic nature by 100% spin polarization. The Kerr angle obtained from magneto-optic results demonstrated a high-intense peak for these compounds in the visible edge with a negative sign. Eventually, a figure of merit with a value above the room temperature was found for both compounds in which the holes are charge carriers.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20501 - Materials engineering
Result continuities
Project
<a href="/en/project/LM2018110" target="_blank" >LM2018110: CzechNanoLab research infrastructure</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Materials Research Express
ISSN
2053-1591
e-ISSN
—
Volume of the periodical
8
Issue of the periodical within the volume
4
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
1-11
UT code for WoS article
000642196000001
EID of the result in the Scopus database
2-s2.0-85105553581