Cargando…

Structural, Elastic, Electronic and Optical Properties of SrTMO(3) (TM = Rh, Zr) Compounds: Insights from FP-LAPW Study

The structural, mechanical, electronic and optical properties of SrTMO(3) (TM = Rh, Zr) compounds are investigated by using first principle calculations based on density functional theory (DFT). The exchange-correlation potential was treated with the generalized gradient approximation (GGA) for the...

Descripción completa

Detalles Bibliográficos
Autores principales:	Shawahni, Areej M., Abu-Jafar, Mohammed S., Jaradat, Raed T., Ouahrani, Tarik, Khenata, Rabah, Mousa, Ahmad A., Ilaiwi, Khaled F.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6213090/ https://www.ncbi.nlm.nih.gov/pubmed/30360385 http://dx.doi.org/10.3390/ma11102057

Ejemplares similares

Electronic properties and low lattice thermal conductivity (κ(l)) of mono-layer (ML) MoS(2): FP-LAPW incorporated with spin–orbit coupling (SOC)
por: Rai, D. P., et al.
Publicado: (2020)

The effect of octahedral distortions on the electronic properties and magnetic interactions in O3 NaTMO(2) compounds (TM = Ti–Ni & Zr–Pd)
por: Assadi, M. Hussein N., et al.
Publicado: (2018)

Planewaves, pseudopotentials and the LAPW method
por: Singh, David J
Publicado: (1994)

Study of the TmoS/TmoT two‐component system: towards the functional characterization of the family of TodS/TodT like systems
por: Silva‐Jiménez, Hortencia, et al.
Publicado: (2012)

Asymmetric TMO–Metal–TMO Structure for Enhanced Efficiency and Long-Term Stability of Si-Based Heterojunction Solar Cells
por: Jung, Yoon-Chae, et al.
Publicado: (2023)

Investigating Rates of Hunting and Survival in Declining European Lapwing Populations
por: Souchay, Guillaume, et al.
Publicado: (2016)

Diversity of incubation rhythms in a facultatively uniparental shorebird – the Northern Lapwing
por: Sládeček, Martin, et al.
Publicado: (2019)

Air-Stable Na(x)TMO(2) Cathodes for Sodium Storage
por: Zhang, Yi, et al.
Publicado: (2019)

High power measurements in superconducting lead and niobium TMo11 mode cavities
por: Gorlé, D, et al.
Publicado: (1969)

Threat-sensitive anti-predator defence in precocial wader, the northern lapwing Vanellus vanellus
por: Królikowska, Natalia, et al.
Publicado: (2016)

New Half-Metallic Materials: FeRuCrP and FeRhCrP Quaternary Heusler Compounds
por: Ma, Jiannan, et al.
Publicado: (2017)

DOF2.1 Controls Cytokinin-Dependent Vascular Cell Proliferation Downstream of TMO5/LHW
por: Smet, Wouter, et al.
Publicado: (2019)

Complete mitochondrial genome of the gray-headed lapwing (Vanellus cinereus) from Ningxia Hui Autonomous Region, China
por: Zhai, Hao, et al.
Publicado: (2021)

Enhancement of optoelectronic properties of layered MgIn[Formula: see text] Se[Formula: see text] compound under uniaxial strain, an ab initio study
por: Rerbal, Benali, et al.
Publicado: (2021)

Automated GMP Production and Preclinical Evaluation of [(68)Ga]Ga-TEoS-DAZA and [(68)Ga]Ga-TMoS-DAZA
por: Greiser, Julia, et al.
Publicado: (2022)

Beyond simple habituation: Anthropogenic habitats influence the escape behaviour of spur‐winged lapwings in response to both human and non‐human threats
por: Bar‐Ziv, Michael, et al.
Publicado: (2022)

Datasets on materials research of hard ferromagnet in TM-Fe-Si (TM=Ti, Zr, Hf, V, Nb, and Ta) ternary systems
por: Ishibashi, Ryusei, et al.
Publicado: (2022)

Enhanced thermoelectric performance of heavy-fermion compounds YbTM(2)Zn(20) (TM = Co, Rh, Ir) at low temperatures
por: Wei, Kaya, et al.
Publicado: (2019)

Filling a Gap: The Coordinatively Saturated Group 4 Carbonyl Complexes TM(CO)(8) (TM=Zr, Hf) and Ti(CO)(7)
por: Deng, Guohai, et al.
Publicado: (2020)

Identification and pharmacological characterization of the prostaglandin FP receptor and FP receptor variant complexes
por: Liang, Y, et al.
Publicado: (2008)

Strain Conditions for the Inverse Heusler Type Fully Compensated Spin-Gapless Semiconductor Ti(2)MnAl: A First-Principles Study
por: Yang, Tie, et al.
Publicado: (2018)

Perfect Topological Metal CrB(2): A One-Dimensional (1D) Nodal Line, a Zero-Dimensional (0D) Triply Degenerate Point, and a Large Linear Energy Range
por: Li, Yang, et al.
Publicado: (2020)

Insight into the Topological Nodal Line Metal YB(2) with Large Linear Energy Range: A First-Principles Study
por: Li, Yang, et al.
Publicado: (2020)

Investigation of the structural competing and atomic ordering in Heusler compounds Fe(2)NiSi and Ni(2)FeSi under strain condition
por: Yang, Tie, et al.
Publicado: (2019)

Effect of Zn doping on phase transition and electronic structures of Heusler-type Pd(2)Cr-based alloys: from normal to all-d-metal Heusler
por: Wang, Xiaotian, et al.
Publicado: (2020)

Effect of Si, Be, Al, N and S dual doping on arsenene: first-principles insights
por: Mushtaq, Muhammad, et al.
Publicado: (2021)

Photocatalytic TMO-NMs adsorbent: Temperature-Time dependent Safranine degradation, sorption study validated under optimized effective equilibrium models parameter with standardized statistical analysis
por: Wahab, Rizwan, et al.
Publicado: (2017)

Determinación de algunos marcadores de estrés oxidativo, funcionales e inmunológicos en saliva de pacientes sometidos a trasplante de médula ósea (TMO)
por: Bachmeier, Evelin, et al.
Publicado: (2021)

A First-Principles Investigation on the Structural, Optoelectronic, and Thermoelectric Properties of Pyrochlore Oxides (La(2)Tm(2)O(7) (Tm = Hf, Zr)) for Energy Applications
por: Abbas, Zeesham, et al.
Publicado: (2022)

Phase Transition and Electronic Structures of All-d-Metal Heusler-Type X(2)MnTi Compounds (X = Pd, Pt, Ag, Au, Cu, and Ni)
por: Wu, Mengxin, et al.
Publicado: (2020)

Level scheme of 101Zr and structure of the N=61 Sr, Zr, and Mo isotones
por: Lhersonneau, G, et al.
Publicado: (1995)

Self-activated Rh–Zr mixed oxide as a nonhazardous cocatalyst for photocatalytic hydrogen evolution
por: Nishino, Toshio, et al.
Publicado: (2020)

Lifetime measurements in $^{99}$Sr and $^{100}$Zr
por: Lhersonneau, G, et al.
Publicado: (1989)

FP/FORM Versus FP/SAL Within Clinical Practice: An Updated Budget Impact Analysis in Asthma
por: Farrington, Emily, et al.
Publicado: (2016)

16 FP : cuestionario de 16 factores de la personalidad : manual /
Publicado: (2001)

The FP420 Project: The Physics Potential
por: de Roeck, Albert
Publicado: (2008)

R&D challenges in FP7
por: Delahaye, P, et al.
Publicado: (2008)

Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors
por: Khandy, Shakeel Ahmad, et al.
Publicado: (2019)

Robust Spin-Gapless Behavior in the Newly Discovered Half Heusler Compound MnPK
por: You, Jiaxue, et al.
Publicado: (2019)

Nuclear reactions in Rb, Sr, Y and Zr targets
por: Régnier, S, et al.
Publicado: (1982)

Cannot write session to /tmp/vufind_sessions/sess_ohtqtetv8on3rfjmpmmjc6qs1h