A review on perovskite lanthanum aluminate (LaAlO3), its properties and applications
An introduction to perovskites along with their structure and properties are discussed.
Lanthanum Aluminate (LaAlO 3) compound, its phase transition from cubic to rhombohedral …
Lanthanum Aluminate (LaAlO 3) compound, its phase transition from cubic to rhombohedral …
Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal
In recent days, topological semimetals have become an active branch of materials research.
The topological Weyl semimetal CaSn 3, belonging to the AuCu 3 type cubic structure, is an …
The topological Weyl semimetal CaSn 3, belonging to the AuCu 3 type cubic structure, is an …
Ab-initio calculations on structural, electronic, half-metallic and optical properties of Co-, Fe-, Mn- and Cr-doped
S Berri - Pramana, 2021 - Springer
Full potential-linearised augmented plane wave (FP-LAPW) method is used to study the
structural, electronic, half-metallic and optical properties of Ba _ 2 LuTaO _ 6 Ba 2 LuTaO 6 …
structural, electronic, half-metallic and optical properties of Ba _ 2 LuTaO _ 6 Ba 2 LuTaO 6 …
First-principles study of structural, elastic, optoelectronic and thermoelectric properties of B-site-ordered quadruple perovskite Ba4Bi3NaO12
M Khuili, M Bounbaa, N Fazouan… - Journal of Solid State …, 2023 - Elsevier
In this study, we have investigated the properties of a new quadruple type perovskite, Ba 4
Bi 3 NaO 12, with a 3: 1 ratio on the B site using density functional theory and its …
Bi 3 NaO 12, with a 3: 1 ratio on the B site using density functional theory and its …
DFT study on the structural, mechanical, electronic, optical and thermodynamic properties of recently synthesized MAX Phase compounds A3InC2 (A= Zr, Hf) under …
Very recently the In-based MAX phases A 3 InC 2 (A= Zr, Hf) have received great attraction
for their exceptional physical properties. Here, the physical properties of A 3 InC 2 (A= Zr, Hf) …
for their exceptional physical properties. Here, the physical properties of A 3 InC 2 (A= Zr, Hf) …
Physical properties and defect processes of Zr3AC2 (A= Al and Si) MAX phases: Implication for radiation tolerance
Various MAX materials exhibit highly disparate ability to tolerate radiation damage when
subjected to ion irradiation and fast neutrons. In this context, we employed the first …
subjected to ion irradiation and fast neutrons. In this context, we employed the first …
First hafnium-based MAX phase in the 312 family, Hf3AlC2: A first-principles study
The ground state physical properties of the newly synthesized 312 MAX compound, Hf 3 AlC
2 have been investigated using the first-principles density functional theory (DFT). The …
2 have been investigated using the first-principles density functional theory (DFT). The …
[HTML][HTML] Effect of boron incorporation into the carbon-site in Nb2SC MAX phase: Insights from DFT
Inherent and modified characteristics of MAX phase materials are important for technological
applications in different fields. From this point of view, the present article gives a brief …
applications in different fields. From this point of view, the present article gives a brief …
A comprehensive DFT evaluation of catalytic and optoelectronic properties of BaTiO3 polymorphs
BaTiO 3 exhibits promising photocatalytic characteristics and has the potential to be
employed in photocatalytic water splitting and pollutant degradation. Herein, we have …
employed in photocatalytic water splitting and pollutant degradation. Herein, we have …
Physical properties of predicted Ti2CdN versus existing Ti2CdC MAX phase: An ab initio study
Ab intio calculations were done to investigate the structural, elastic, electronic and optical
properties of the Cd-containing theoretically predicted MAX phase, Ti 2 CdN, in comparison …
properties of the Cd-containing theoretically predicted MAX phase, Ti 2 CdN, in comparison …