Browsing by author "Álvarez-Uría Franco, Ruth"

Atomic contributions to zno mechanical properties at negative and positive pressures

Lakehal, H.; Chorfi, H.; Zouchoune, B.; Lobato, Á.; Álvarez-Uría Franco, Ruth

; Pertierra Castro, María del Pilar

; Salvado Sánchez, Miguel Ángel

; Recio Muñiz, José Manuel

(2024)

Cálculos no empíricos de propiedades electrónicas, cohesivas y termodinámicas de óxidos cerámicos de magnesio y aluminio

Álvarez-Uría Franco, Ruth

(1999)

Cation distributions on CoAl2O4 and Co 2AlO4 spinels: Pressure and temperature effects

Álvarez-Uría Franco, Ruth

; Tielens, F.; Calatayud, Mónica; Recio Muñiz, José Manuel

(2008)

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Chorfi, Hocine; Lobato Fernández, Álvaro

; Boudjada, Fahina; Salvado Sánchez, Miguel Ángel

; Álvarez-Uría Franco, Ruth

; Baonza, Valentín G.; Recio Muñiz, José Manuel

(2019)

Determination of the high-pressure domain of stability of besio3 and characterization of its crystal structure and properties

Ouahrani, T.; Álvarez-Uría Franco, Ruth

; Lobato, I.; Izquierdo Ruiz, F.; Muñoz, A.; Errandonea, D. (2024)

Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4 by means of first-principles calculations

Boukri, Khaled; Ouahrani, Tarik; Badawi, Michael; Demmouche, Kamel; Álvarez-Uría Franco, Ruth

; Recio Muñiz, José Manuel

(2020)

Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy

Bendaoudi, L.; Ouahrani, T.; Daouli, A.; Rerbal, B.; Boufatah, R. M.; Morales García, A.; Álvarez-Uría Franco, Ruth

; Bedrane, Z.; Badawi, M.; Errandonea, D. (2023)

High-pressure properties of thallium orthovanadate from density-functional theory calculations

Ouahrani, T.; Muñoz, A.; Franco, R.; Boufatah, R.M.; Bedrane, Z.; Errandonea, D.; Álvarez-Uría Franco, Ruth

(Elsevier, 2024-01-10)

Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC

Salvado Sánchez, Miguel Ángel

; Álvarez-Uría Franco, Ruth

; Pertierra Castro, María del Pilar

; Ouahrani, Tarik; Recio Muñiz, José Manuel

(2017)

Janus scycbr2 mxene as a promising thermoelectric material

Ould Mohamed, M.; Ouahrani, T.; Boufatah, R.; Morales García, A.; Álvarez-Uría Franco, Ruth

; Badawi, M.; Errandonea, D. (2024)

Microscopic partition of pressure and elastic constants in CdTe polymorphs

Ouahrani, Tarik; Álvarez-Uría Franco, Ruth

; Menéndez Montes, José Manuel

; Marqués Arias, Miriam

; Recio Muñiz, José Manuel

(2014)

Preference for a pressure-induced 3D structure after 1T-HfSe2

Hilleke, Katerina P.; Álvarez-Uría Franco, Ruth

; Pertierra Castro, María del Pilar

; Salvado Sánchez, Miguel Ángel

; Zurek, Eva; Recio Muñiz, José Manuel

(2023-08)

Pressure and temperature stability boundaries of cubic sic polymorphs: a first-principles investigation

Pertierra Castro, María del Pilar

; Salvado Sánchez, Miguel Ángel

; Álvarez-Uría Franco, Ruth

; Recio Muñiz, José Manuel

(2022)

Pressure-Driven Metallization in Hafnium Diselenide

Andrada Chacón, Adrián; Morales García, Ángel; Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Álvarez-Uría Franco, Ruth

; Garbarino, Gastón; Taravillo, Mercedes; Barredo Argüeso, José A.; González, Jesús; García Baonza, Valentín; Recio Muñiz, José Manuel

; Sánchez Benítez, Javier (2021)

Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs

Belarouci, S.; Ouahrani, Tarik; Benabdallah, N.; Morales García, Á.; Álvarez-Uría Franco, Ruth

(2018)

Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures

Tielens, F.; Calatayud, Mónica; Álvarez-Uría Franco, Ruth

; Recio Muñiz, José Manuel

; Pérez Ramírez, Javier; Minot, Christian (2009)

Tuning the electronic properties of asymmetric YZrCOF MXene for water splitting applications: an ab initio study

Ould-Mohamed, M.; Ouahrani, T.; Ougherb, C.; Álvarez-Uría Franco, Ruth

; Errandonea, D. (Royal Society of Chemistry, 2024-02-06)

Tuning the electronic properties of asymmetric yzrcof mxene for water splitting applications: an ab initio study

Ould-Mohamed, M.; Ouahrani, T.; Ougherb, C.; Álvarez-Uría Franco, Ruth

; Errandonea, D. (2024)

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite

Ouahrani, Tarik; Medjdoub, Fatima-Zohra; Gueddida, Saber; Lobato Fernández, Álvaro

; Álvarez-Uría Franco, Ruth

; Benkhettou, Nour-Eddine; Badawi, Michael; Liang, Akun; González, Jesús; Errandonea, Daniel (2020)

Browsing by author "Álvarez-Uría Franco, Ruth"

Atomic contributions to zno mechanical properties at negative and positive pressures ﻿

Cálculos no empíricos de propiedades electrónicas, cohesivas y termodinámicas de óxidos cerámicos de magnesio y aluminio ﻿

Cation distributions on CoAl2O4 and Co 2AlO4 spinels: Pressure and temperature effects ﻿

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials ﻿

Determination of the high-pressure domain of stability of besio3 and characterization of its crystal structure and properties ﻿

Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4 by means of first-principles calculations ﻿

Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy ﻿

High-pressure properties of thallium orthovanadate from density-functional theory calculations ﻿

Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC ﻿

Janus scycbr2 mxene as a promising thermoelectric material ﻿

Microscopic partition of pressure and elastic constants in CdTe polymorphs ﻿

Preference for a pressure-induced 3D structure after 1T-HfSe2 ﻿

Pressure and temperature stability boundaries of cubic sic polymorphs: a first-principles investigation ﻿

Pressure-Driven Metallization in Hafnium Diselenide ﻿

Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs ﻿

Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures ﻿

Tuning the electronic properties of asymmetric YZrCOF MXene for water splitting applications: an ab initio study ﻿

Tuning the electronic properties of asymmetric yzrcof mxene for water splitting applications: an ab initio study ﻿

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite ﻿

Atomic contributions to zno mechanical properties at negative and positive pressures

Cálculos no empíricos de propiedades electrónicas, cohesivas y termodinámicas de óxidos cerámicos de magnesio y aluminio

Cation distributions on CoAl2O4 and Co 2AlO4 spinels: Pressure and temperature effects

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Determination of the high-pressure domain of stability of besio3 and characterization of its crystal structure and properties

Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4 by means of first-principles calculations

Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy

High-pressure properties of thallium orthovanadate from density-functional theory calculations

Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC

Janus scycbr2 mxene as a promising thermoelectric material

Microscopic partition of pressure and elastic constants in CdTe polymorphs

Preference for a pressure-induced 3D structure after 1T-HfSe2

Pressure and temperature stability boundaries of cubic sic polymorphs: a first-principles investigation

Pressure-Driven Metallization in Hafnium Diselenide

Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs

Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures

Tuning the electronic properties of asymmetric YZrCOF MXene for water splitting applications: an ab initio study

Tuning the electronic properties of asymmetric yzrcof mxene for water splitting applications: an ab initio study

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite