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)

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)

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. (2024)

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)

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 ﻿

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 ﻿

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

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

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