Structural, electronic and magnetic properties of new full Heusler alloys Rh(2)CrZ (Z = Al, Ga, In): First-principles calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F19%3A00340846" target="_blank" >RIV/68407700:21220/19:00340846 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.cjph.2019.04.002" target="_blank" >https://doi.org/10.1016/j.cjph.2019.04.002</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cjph.2019.04.002" target="_blank" >10.1016/j.cjph.2019.04.002</a>
Alternative languages
Result language
angličtina
Original language name
Structural, electronic and magnetic properties of new full Heusler alloys Rh(2)CrZ (Z = Al, Ga, In): First-principles calculations
Original language description
First-principles calculations based on the density functional theory (DFT) within full-potential linearized augmented plane wave method (FP-LAPW) were carried out to investigate the structural, electronic and magnetic properties of Rh(2)CrZ (Z = Al, Ga, In) Heusler alloys. The electron exchange-correlation energyis described by the generalized gradient approximation (GGA-PBE), Tran and Blaha modified Becke-Johnson (TB-mBJ) potential and GGA + U (U is Hubbard correction). The present work reveals the stability of Rh(2)CrZ (Z = Al, Ga, In) Heusler in Cu2MnAl-type structure. The negative value of formation energy in Rh(2)CrZ (Z = Al, Ga, In) alloys indicates that these compounds can be synthesize experimentally. Rh(2)CrZ (Z = Al, Ga) are half metal ferromagnets and expected to be potential candidatefor application in spintronics. However, Rh2CrIn is nearly half metallic behavior.
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
10306 - Optics (including laser optics and quantum optics)
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chinese Journal of Physics
ISSN
0577-9073
e-ISSN
—
Volume of the periodical
59
Issue of the periodical within the volume
June
Country of publishing house
TW - TAIWAN (PROVINCE OF CHINA)
Number of pages
10
Pages from-to
281-290
UT code for WoS article
000469349900029
EID of the result in the Scopus database
2-s2.0-85064280998