Half-Metallic, Thermoelectric, Optical, and Thermodynamic Phase Stability of RbBaB(001) Film: A DFT Study

Parsamehr, S.; Boochani, Arash; Sartipi, Elmira; Amiri, Maliheh; Solaymani, Shahram; Naderi, Sirvan

doi:10.1007/s10765-019-2531-3

Cited by 8 publications

(2 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The obtained values of ZT are larger to those reported for many half-Heusler compounds such as PdZrGe [47], ZrFeSi [48], RbBaB [49], XLiSn [50], RhTiSb [51].…”

Section: E F D) Z Tcontrasting

confidence: 75%

An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

Djelti

Anissa

Bestani

2022

EEJP

View full text Add to dashboard Cite

The half-Heusler alloy NiVSi is investigated theoretically by using first-principles calculations based on the density functional theory (DFT). For a better description of the electronic properties, the TB-mBJ potential is used for exchange-correlation potential. The structural, electronic, magnetic, optical and thermoelectric properties was calculated by WIEN2k software. The negative cohesive and formation energies found reveal that the NiVSi is thermodynamically stable. Electronically, the NiVSi is a half-metal with an indirect band gap of 0.73 eV in the spin-down channel whereas the spin up channel is metallic. The total magnetic moment is of 1. Optically, the obtained high absorption coefficient in ultraviolet wavelength range, make the NiVSi useful as effective ultraviolet absorber. Thermoelectrically, a high figure of merit in the p- and n-type region was obtained, what makes this compound very functional for thermoelectric applications. The generation of a fully spin-polarized current make this compound unsuitable for spintronic applications at room temperature, a doping may be a satisfactory solution to improve this property.

show abstract

“…The obtained values of ZT are larger to those reported for many half-Heusler compounds such as PdZrGe [47], ZrFeSi [48], RbBaB [49], XLiSn [50], RhTiSb [51].…”

Section: E F D) Z Tcontrasting

confidence: 75%

An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

Djelti

Anissa

Bestani

2022

EEJP

View full text Add to dashboard Cite

show abstract

“…Attention to the physical and chemical properties of surfaces is very important for technological applications because cutting the bulk structure and creating thin films or surfaces can have a significant effect on the halfmetallic behavior of material to be preserved or destroyed. [27][28][29][30][31][32][33][34][35][36] The presence of three strong transition metals, all of which have half-full d orbitals in the CoRhMnSi compound, leads to increased activity in the formation of electrical bonds and free electrons in the compound, which makes these materials very important and useful. This atomic diversity in practice gives us the chance to see various atomic varieties at the film surface at different terminations.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen effect on half‐metallic and thermoelectric properties of CoRhMnSi [001] film

et al. 2021

Self Cite

View full text Add to dashboard Cite

Quaternary Heusler alloys (QHAs) with their unique properties have the ability to absorb and store hydrogen to be used as hydrogen storage sources. In the present work, based on the calculations of the density theory of the effects of hydrogen adsorption on the properties of the half-metal and the electron transport behavior of the thin film CoRhMnSi alloy [001] was investigated. CoRhMnSi is a ferromagnetic half-metallic compound that crystallizes in a LiMgPdSn-type cube structure and only its two phases [001] named β and γ under hydrogen adsorption still retain their metallic properties with band gaps of 0.81 and 0.39 eV in the minor spin, have maintained. Examination of thermodynamic phase diagrams shows that these films are stable in thermodynamic conditions. Investigation of thermoelectric properties of these compounds also shows that the highest figure of merit values of 0.99 for the CoRhMnSi bulk and 0.81 for the γ phase occurs in the room temperature range.

show abstract

Ion beam assisted electron gun deposition of MgF₂ thin films

Shakoury

Khanlary²,

Sadeghi³

et al. 2022

Vak Forsch Prax

View full text Add to dashboard Cite

SummaryA traditional method for increasing the density of the optical films, is heating the substrate. An alternative way to increase the density of the film, is bombardment of substrate by ions during film growth. This method is known as ion assisted deposition (IAD). In this paper, magnesium fluoride, MgF2, thin film has been produced on a glass substrate by ion assisted deposition method. The effects of ion energy have been studied on density and refractive index film. Reflection, transmission and scattering spectra of the samples were measured by a spectrophotometer. Moreover, Atomic force microscope (AFM) is prepared. Using these measurements, optical and physical properties of the films are analyzed. A sample of MgF2 film has been produced without ion bombardment so that one can compare the effect of ion bombardment.

show abstract

Half-Metallic, Thermoelectric, Optical, and Thermodynamic Phase Stability of RbBaB(001) Film: A DFT Study

Cited by 8 publications

References 34 publications

An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

Hydrogen effect on half‐metallic and thermoelectric properties of CoRhMnSi [001] film

Ion beam assisted electron gun deposition of MgF₂ thin films

Contact Info

Product

Resources

About

Half-Metallic, Thermoelectric, Optical, and Thermodynamic Phase Stability of RbBaB(001) Film: A DFT Study

Cited by 8 publications

References 34 publications

An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

Hydrogen effect on half‐metallic and thermoelectric properties of CoRhMnSi [001] film

Ion beam assisted electron gun deposition of MgF2 thin films

Contact Info

Product

Resources

About

Ion beam assisted electron gun deposition of MgF₂ thin films