Image de couverture de livre

Ab initio thermodynamic properties of Iridium: A high-pressure and high-temperature study

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Thakur, Balaram, Gong, Xuejun, Corso, Andrea Dal
Format:	Preprint
Publié:	2024
Sujets:	Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Scalar and fully relativistic pressure and temperature-dependent ab-initio thermodynamics study of simple cubic polonium
par: Thakur, Balaram, et autres
Publié: (2026)

Ab initio quasi-harmonic thermoelasticity of molybdenum at high temperature and pressure
par: Gong, Xuejun, et autres
Publié: (2024)

Thermodynamic properties of fcc lead: A scalar and fully relativistic first principle study
par: Thakur, Balaram, et autres
Publié: (2025)

Ab initio quasi-harmonic thermoelasticity, piezoelectricity, and thermoelectricity of polar solids at finite temperature and pressure: Application to wurtzite ZnO
par: Gong, Xuejun, et autres
Publié: (2026)

High pressure and temperature thermoelasticity of hcp osmium from ab initio quasi-harmonic theory
par: Gong, Xuejun, et autres
Publié: (2025)

High temperature and pressure thermoelasticity of hcp metals from ab initio quasi-harmonic free energy calculations: the beryllium case
par: Gong, Xuejun, et autres
Publié: (2024)

An alternative GPU acceleration for a pseudopotential plane-waves density functional theory code with applications to metallic systems
par: Gong, Xuejun, et autres
Publié: (2024)

Ab initio thermodynamics of liquid and solid water
par: Cheng, Bingqing, et autres
Publié: (2018)

Ab-initio study of the structural, elastic and dislocation properties of body-centered cubic refractory HfNbTaTiZr high entropy alloy
par: Bhatti, Asif Iqbal, et autres
Publié: (2024)

Ab initio Phase Diagram of Ta2O5
par: Gong, Yan, et autres
Publié: (2026)

Ab initio elasticity at finite temperature and stress in ferroelectrics
par: Mathis, Mark A., et autres
Publié: (2024)

Quantum effects in the H-bond symmetrization and in the thermodynamic properties of high pressure ice
par: Cherubini, Marco, et autres
Publié: (2024)

Ab initio study on photocatalytic properties of PtSSe-WXY Janus heterostructures
par: Shastri, Shivprasad S., et autres
Publié: (2025)

Ab initio study of flexoelectricity in MXene monolayers
par: Kumar, Shashikant, et autres
Publié: (2025)

Ab-initio study of the beta Fe2O3 phase
par: Mishra, Priyanka, et autres
Publié: (2024)

New opportunities for high pressure hydrogen achieved by fullerane vibrating modes: an ab initio study
par: Gebac, Leonard Constantin, et autres
Publié: (2025)

Ab initio modeling of superconducting alloys
par: Ferreira, Pedro N., et autres
Publié: (2024)

Structure and dielectric properties of BFN-KN solid solutions synthesized through solution combustion route
par: Khopkar, Vijay, et autres
Publié: (2024)

Ab initio simulation of $\mathrm{Ta_2O_5}$: A high symmetry ground state phase with application to interface calculation
par: Yuan, Jun-Hui, et autres
Publié: (2018)

Ab initio study of carrier mobility in Bi$_2$O$_2$Se
par: Yuan, Yubo, et autres
Publié: (2026)

Ab initio study of strain-driven vacancy clustering in aluminum
par: Bhowmik, Sayan, et autres
Publié: (2025)

Ab initio study of subsurface diffusion of Cu on the H-passivated Si(001) surface
par: Rodriguez-Prieto, A., et autres
Publié: (2024)

Ab-initio study of quantum oscillation in altermagnetic and nonmagnetic phases of RuO$_2$
par: Huang, Yingliang, et autres
Publié: (2024)

Ab initio study of mechanical and functional properties of novel CaZnC and CaZnSi half-Heusler materials
par: Kamlesh, P. K., et autres
Publié: (2025)

Elastic properties of fluid mercury across the metal-nonmetal transition: Ab initio simulation study
par: Bryk, T., et autres
Publié: (2025)

Low temperature conductivity of BaFe$_{0.5}$Nb$_{0.5}$O$_3$ double perovskite structure ceramics
par: Khopkar, Vijay, et autres
Publié: (2024)

Ab initio evidence for a framework-preserving spin-polarized high-DOS state in D-type carbon schwarzite C136
par: Yashin, Eugene
Publié: (2026)

Ab initio surface chemistry with chemical accuracy
par: Ye, Hong-Zhou, et autres
Publié: (2023)

Ab initio investigation of electronic and lattice properties of Fe$_4$(P$_2$O$_7$)$_3$
par: Pastukh, Svitlana, et autres
Publié: (2025)

Ab initio study of saddle-point excitons in monolayer SnS2
par: Bastos, Vinicius Alves, et autres
Publié: (2026)

Ab initio electronic conductivity of Fe-bearing post-perovskite
par: Peng, Yihang, et autres
Publié: (2026)

Ab-initio superfluid weight and superconducting penetration depth
par: Hiorth, Kaja H., et autres
Publié: (2026)

Ab initio constraints on silica melting to 500 GPa
par: Geng, Ming, et autres
Publié: (2023)

Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations
par: Koutná, Nikola, et autres
Publié: (2024)

Ab initio calculation of the nonequilibrium adsorption energy
par: Lee, Juho, et autres
Publié: (2024)

Ab-initio study of the energy competition between Γand K valleys in bilayer transition metal dichalcogenides
par: Olin, Sam, et autres
Publié: (2023)

Ab initio modeling of TWIP and TRIP effects in $β$-Ti alloys
par: Holec, David, et autres
Publié: (2025)

Ab initio Approach to Collective Excitations in Excitonic Insulators
par: Xuan, Fengyuan, et autres
Publié: (2025)

A high-throughput ab initio study of elemental segregation and cohesion at ferritic-iron grain boundaries
par: Mai, Han Lin, et autres
Publié: (2025)

Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study
par: Carrete, Jesús, et autres
Publié: (2014)