Cargando…

Effect of temperature on structural, dynamical, and electronic properties of Sc(2)Te(3) from first-principles calculations

The compounds Sc(2)Te(3) and Sb(2)Te(3) have the same crystal structure. Ge–Sb–Te alloys are also the most common prototype phase change memory (PCM) compounds in the GeTe–Sb(2)Te(3) pseudo-binary combination. Recently, alloying Sc atoms into Sb(2)Te(3) has enabled sub-nanosecond switching in large...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zewdie, Getasew Mulualem, Debela, Tekalign Terfa, Asres, Georgies Alene
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9665046/ https://www.ncbi.nlm.nih.gov/pubmed/36425197 http://dx.doi.org/10.1039/d2ra05720d

Ejemplares similares

Inorganic molecule (O(2), NO) adsorption on nitrogen- and phosphorus-doped MoS(2) monolayer using first principle calculations
por: Abbas, Hafiz Ghulam, et al.
Publicado: (2018)

Polymorphic Ga(2)S(3) nanowires: phase-controlled growth and crystal structure calculations
por: Park, Kidong, et al.
Publicado: (2022)

First-principles investigation of potential water-splitting photocatalysts and photovoltaic materials based on Janus transition-metal dichalcogenide/WSe(2) heterostructures
por: Ayele, Samuel Tilahun, et al.
Publicado: (2022)

DFT investigation of the electronic and optical properties of hexagonal MX(2)/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application
por: Sibhatu, Aman kassaye, et al.
Publicado: (2022)

Electronic structure of strain-tunable Janus WSSe–ZnO heterostructures from first-principles
por: Peterson, E. A., et al.
Publicado: (2022)

Two-dimensional MXO/MoX(2) (M = Hf, Ti and X = S, Se) van der Waals heterostructure: a promising photovoltaic material
por: Sibhatu, Aman Kassaye, et al.
Publicado: (2022)

The effect of oxidation on the electronic properties of penta-graphene: first-principles calculation
por: Li, Lin, et al.
Publicado: (2019)

Electronic structure, elasticity, Debye temperature and anisotropy of cubic WO(3) from first-principles calculation
por: Liu, Xing, et al.
Publicado: (2018)

Insight into the electronic and thermodynamic properties of NbSi(2) from first-principles calculations
por: Wang, Shuanglun, et al.
Publicado: (2018)

Atomic and electronic structures of charge-doping VO(2): first-principles calculations
por: Chen, Lanli, et al.
Publicado: (2020)

A first-principles calculation of structural, mechanical, thermodynamic and electronic properties of binary Ni–Y compounds
por: Zhou, YunXuan, et al.
Publicado: (2018)

Bi(2)Te(3) single crystals with high room-temperature thermoelectric performance enhanced by manipulating point defects based on first-principles calculation
por: Tang, Chunmei, et al.
Publicado: (2019)

Sc/C codoping effect on the electronic and optical properties of the TiO(2) (101) surface: a first-principles study
por: Li, Dongxiang, et al.
Publicado: (2021)

Electronic, optical and thermoelectric properties of Fe(2)ZrP compound determined via first-principles calculations
por: Pakizeh, Esmaeil, et al.
Publicado: (2019)

Initial yield of hydrated electron production from water radiolysis based on first-principles calculation
por: Kai, Takeshi, et al.
Publicado: (2023)

OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources
por: Wu, Zhikun, et al.
Publicado: (2023)

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be(12)Ti
por: Liu, Xiankun, et al.
Publicado: (2019)

The stability and electronic and photocatalytic properties of the ZnWO(4) (010) surface determined from first-principles and thermodynamic calculations
por: Wu, Yonggang, et al.
Publicado: (2021)

The thermal stability of FAPbBr(3) nanocrystals from temperature-dependent photoluminescence and first-principles calculations
por: Wang, Xiaozhe, et al.
Publicado: (2020)

HfS(2)/MoTe(2) vdW heterostructure: bandstructure and strain engineering based on first-principles calculation
por: Yang, Xinge, et al.
Publicado: (2020)

Janus transition metal dichalcogenides in combination with MoS(2) for high-efficiency photovoltaic applications: a DFT study
por: Beshir, Birhan Tesfaye, et al.
Publicado: (2022)

Corrigendum: OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources
por: Wu, Zhikun, et al.
Publicado: (2023)

Electronic and optical absorption properties of organic–inorganic perovskites as influenced by different long-chain diamine molecules: first-principles calculations
por: Zhou, Wangzhe, et al.
Publicado: (2019)

First-principles study on the electrical and thermal properties of the semiconducting Sc(3)(CN)F(2) MXene
por: Luo, Kan, et al.
Publicado: (2018)

First-principles insights onto structural, electronic and optical properties of Janus monolayers CrXO (X = S, Se, Te)
por: Linh, Tran P. T., et al.
Publicado: (2021)

First-principles study on the structure and electronic properties of M(2)CS(x) (M = Sc, Ti, Y, Zr and Hf, x = 1, 2)
por: Zhu, Huaijin, et al.
Publicado: (2023)

Strain sensitivity of band structure and electron mobility in perovskite BaSnO(3): first-principles calculation
por: Wang, Yaqin, et al.
Publicado: (2019)

The crystal structures, phase stabilities, electronic structures and bonding features of iridium borides from first-principles calculations
por: Zhang, Jinquan, et al.
Publicado: (2022)

Exploring the ring current of carbon nanotubes by first-principles calculations
por: Ren, Pengju, et al.
Publicado: (2015)

First-principles calculations of electronic structure and optical and elastic properties of the novel ABX(3)-type LaWN(3) perovskite structure
por: Liu, Xing, et al.
Publicado: (2020)

Insights into first-principles characterization of the monoclinic VO(2)(B) polymorph via DFT + U calculation: electronic, magnetic and optical properties
por: Mohebbi, Elaheh, et al.
Publicado: (2022)

Novel Janus GaInX(3) (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties
por: Vu, Tuan V., et al.
Publicado: (2022)

A first-principles prediction of novel Janus T′-RuXY (X/Y = S, Se, Te) monolayers: structural properties and electronic structures
por: Hien, Nguyen D.
Publicado: (2022)

First-principles study of the electric, magnetic, and orbital structure in perovskite ScMnO(3)
por: Song, Guang, et al.
Publicado: (2019)

Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet
por: Li, Zhuo, et al.
Publicado: (2017)

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations
por: Chen, Yuhong, et al.
Publicado: (2017)

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations
por: Bafekry, Asadollah, et al.
Publicado: (2020)

A first-principles study of the switching mechanism in GeTe/InSbTe superlattices
por: Ribaldone, Chiara, et al.
Publicado: (2020)

First-principles study of structural, elastic and electronic properties of naphyne and naphdiyne
por: Liu, Chuan, et al.
Publicado: (2020)

Theoretical research on novel orthorhombic tungsten dinitride from first principles calculations
por: Li, Qian, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_ukrvf7tqro6ncfrku48ulpagml