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Structural correlations in Cs₂CuCl₄: pressure dependence of electronic structures

Jara Martínez, Enrique

; Barreda Argüeso, José Antonio

; González Gómez, Jesús Antonio

; Valiente Barroso, Rafael

; Rodríguez González, Fernando

(La Plata: S. A. Cannas, 2019)

Enhancing the sensitization efficiency of erbium doped organic complexes by heavy halogen substitution

Hu, Jianxu; Karamshuk, S.; Gorvaciova, J.; Ye, Huanqing; Lu, Haizhou; Zhang, Yuanpeng; Zheng; Y. X.; Liang, X.; Motevalli, Majid; Abrahams, I.; Hernández Campo, Ignacio

; Wyatt, Peter B.; Gillin, William P. (Royal Society of Chemistry, 2018-06-21)

Functionalisation of ligands through click chemistry: long-lived NIR emission from organic Er(III) complexes with a perfluorinated core and a hydrogen-containing shell

Peng, Yu; Hu, Jianxu; Lu, Haizhou; Wilson, R. M.; Motevalli, M.; Hernández Campo, Ignacio

; Gillin, William P.; Wyatt, Peter B.; Ye, Huanqing (Royal Society of Chemistry, 2017)

High sensitization efficiency and energy transfer routes for population inversion at low pump intensity in Er organic complexes for IR amplification

Hu, Jianxu; Karamshuk, S.; Gorbaciova, J.; Ye, Huanqing; Lu, Haizhou; Zhang, Y.P.; Zheng, Y. X.; Liang, X.; Hernández Campo, Ignacio

; Wyatt, Peter B.; Gillin, William P. (Nature Publishing Group, 2018-02-19)

On the exchange bias effect in NiO nanoparticles with a core(antiferromagnetic)/shell (spin glass) morphology

Rinaldi Montes, Natalia Magdalena; Gorria Korres, Pedro; Martínez Blanco, David; Fuertes Arias, Antonio Benito; Fernández Barquín, Luis

; Rodríguez Fernández, Jesús

; Pedro del Valle, Imanol de

; Fernández Gubieda, M. L.; Alonso, J.; Olivi, Luca; Aquilanti, Giuliana; Puente Orench, I.; Blanco Rodríguez, Jesús Ángel (Institute of Physics, 2015)

Unlocking the potential of magnetotactic bacteria as magnetic hyperthermia agents

Gandia, David; Gandarias, Lucía; Rodrigo, Irati; Robles Garcia, Joshua; Das, Raja; Garaio, Eneko; García, José Ángel; Phan, Manh-Huong; Srikanth, Hariharan; Orue, Iñaki; Alonso Masa, Javier

; Muela, Alicia; Fernández Gubieda, María Luisa (Wiley-VCH Verlag, 2019-08)

Introducing design strategies to preserve N-heterocycles throughout the on-surface synthesis of graphene nanostructures

Tenorio, María; Moreno Sierra, César

; Vilas-Varela, Manuel; Castro-Esteban, Jesús; Febrer, Pol; Pruneda, Miguel; Peña, Diego; Mugarza, Aitor (Wiley-VCH GmbH, 2024-01)

Magnetic anisotropy in "scorpionate" first-row transition-metal complexes: a theoretical investigation

Peric, Marko; García-Fuente, Amador; Zlatar, Matija; Daul, Claude August E.; Stepanovic, Stepan; García Fernández, Pablo (físico)

; Gruden, Maja (Wiley-VCH Verlag, 2015-01)

Pr³+-doped YPO₄ nanocrystal embedded into an optical fiber

Dorosz, Dominik; Kochanowicz, Marcin; Valiente Barroso, Rafael

; Diego Rucabado, Andrea

; Rodríguez González, Fernando

; Siñeriz Niembro, Nuria

; Espeso Martínez, José Ignacio

; Lesniak, Magdalena; Miluski, Piotr; Conzendorf, Sylvia; Posseckardt, Juliane; Liao, Zhongquan; Jimenez, Gloria Lesly; Müller, Robert; Lorenz, Martin; Schwuchow, Anka; Leich, Martin; Lorenz, Adrian; Wondraczek, Katrin; [et al.] (Nature Publishing Group, 2024)

Interlayer coupling controlled ordering and phases in polar vortex superlattices

Meisenheimer, Peter; Ghosal, Arundhati; Hoglund, Eric; Wang, Zhiyang; Behera, Piush; Gómez Ortiz, Fernando

; Kavle, Pravin; Karapetrova, Evguenia; García Fernández, Pablo (físico)

; Martin, Lane W.; Raja, Archana; Chen, Long-Qing; Hopkins, Patrick E.; Junquera Quintana, Francisco Javier

; Ramesh, Ramamoorthy (American Chemical Society, 2024-03)

Understanding the local structure, magnetism, and optical properties in layered compounds with d⁹ ions: insight into silver fluorides and K₂CuF₄

Sánchez de Movellán Sáiz, Inés; Santamaría Fernández, Guillermo

; García Fernández, Pablo (físico)

; Aramburu-Zabala Higuera, José Antonio

; Moreno Mas, Miguel

(American Chemical Society, 2023-08)

Strain-induced ferromagnetic to antiferromagnetic crossover in d⁹-Ion (Cu²+ and Ag²+)-layered perovskites

Sánchez de Movellán Sáiz, Inés; Moreno Mas, Miguel

; Aramburu-Zabala Higuera, José Antonio

; García Fernández, Pablo (físico)

(American Chemical Society, 2023-05)

Red shiftin optical excitationson layered copper perovskites under pressure: role of the orthorhombic instability

Carrasco Busturia, David; Sánchez de Movellán Sáiz, Inés; Sougaard Tygesen, Alexander; Bhowmik, Arghya; García Lastra, Juan María

; Aramburu-Zabala Higuera, José Antonio

; Moreno Mas, Miguel

(Wiley-VCH Verlag, 2023-01)

Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior

Gruden, Maja; Peric, Marko; Zlatar, Matija; García Fernández, Pablo (físico)

(Royal Society of Chemistry, 2014)

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model

Vujovic, Milena; Huynh, Mioy T.; Steiner, Sebastian; García Fernández, Pablo (físico)

; Elstner, Marcus; Cui, Qiang; Gruden, Maja (Wiley, 2019)

Pressure effects on the antiferromagnetic order of the hydride CeRuSiH

Rodríguez Fernández, Jesús

; Rojas Pupo, Daniel

; Gómez Sal, José Carlos; Tencé, Sophie; Chevalier, Bernard (Institute of Physics, 2010)

Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds

Stepanovic, Stepan; Lai, Rui; Elstner, Marcus; Gruden, Maja; García Fernández, Pablo (físico)

; Cui, Qiang (Royal Society of Chemistry, 2020)

Pressure effects on 3dn (n=4, 9) insulating compounds: long axis switch in Na₃MnF₆ not due to the Jahn-Teller effect

Sánchez de Movellán Sáiz, Inés; Carrasco Busturia, David; García Lastra, Juan María

; García Fernández, Pablo (físico)

; Aramburu-Zabala Higuera, José Antonio

; Moreno Mas, Miguel

(Wiley-VCH Verlag, 2022)

New ideas for understanding the structure and magnetism in AgF₂: prediction of ferroelasticity

Sánchez de Movellán Sáiz, Inés; Moreno Ceballos, Jorge; García Fernández, Pablo (físico)

; Aramburu-Zabala Higuera, José Antonio

; Moreno Mas, Miguel

(Wiley-VCH Verlag, 2021-09)

Key role of deep orbitals in the dx²-y²-d₃z²-r² gap in tetragonal complexes and 10 Dq

Aramburu-Zabala Higuera, José Antonio

; Moreno Mas, Miguel

(American Chemical Society, 2021-03)

D29 Proyectos de Investigación: Envíos recientes

Structural correlations in Cs₂CuCl₄: pressure dependence of electronic structures

Enhancing the sensitization efficiency of erbium doped organic complexes by heavy halogen substitution

Functionalisation of ligands through click chemistry: long-lived NIR emission from organic Er(III) complexes with a perfluorinated core and a hydrogen-containing shell

High sensitization efficiency and energy transfer routes for population inversion at low pump intensity in Er organic complexes for IR amplification

On the exchange bias effect in NiO nanoparticles with a core(antiferromagnetic)/shell (spin glass) morphology

Unlocking the potential of magnetotactic bacteria as magnetic hyperthermia agents

Introducing design strategies to preserve N-heterocycles throughout the on-surface synthesis of graphene nanostructures

Magnetic anisotropy in "scorpionate" first-row transition-metal complexes: a theoretical investigation

Pr³+-doped YPO₄ nanocrystal embedded into an optical fiber

Interlayer coupling controlled ordering and phases in polar vortex superlattices

Understanding the local structure, magnetism, and optical properties in layered compounds with d⁹ ions: insight into silver fluorides and K₂CuF₄

Strain-induced ferromagnetic to antiferromagnetic crossover in d⁹-Ion (Cu²+ and Ag²+)-layered perovskites

Red shiftin optical excitationson layered copper perovskites under pressure: role of the orthorhombic instability

Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model

Pressure effects on the antiferromagnetic order of the hydride CeRuSiH

Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds

Pressure effects on 3dn (n=4, 9) insulating compounds: long axis switch in Na₃MnF₆ not due to the Jahn-Teller effect

New ideas for understanding the structure and magnetism in AgF₂: prediction of ferroelasticity

Key role of deep orbitals in the dx²-y²-d₃z²-r² gap in tetragonal complexes and 10 Dq

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D29 Proyectos de Investigación: Envíos recientes

Structural correlations in Cs₂CuCl₄: pressure dependence of electronic structures ﻿

Enhancing the sensitization efficiency of erbium doped organic complexes by heavy halogen substitution ﻿

Functionalisation of ligands through click chemistry: long-lived NIR emission from organic Er(III) complexes with a perfluorinated core and a hydrogen-containing shell ﻿

High sensitization efficiency and energy transfer routes for population inversion at low pump intensity in Er organic complexes for IR amplification ﻿

On the exchange bias effect in NiO nanoparticles with a core(antiferromagnetic)/shell (spin glass) morphology ﻿

Unlocking the potential of magnetotactic bacteria as magnetic hyperthermia agents ﻿

Introducing design strategies to preserve N-heterocycles throughout the on-surface synthesis of graphene nanostructures ﻿

Magnetic anisotropy in "scorpionate" first-row transition-metal complexes: a theoretical investigation ﻿

Pr³+-doped YPO₄ nanocrystal embedded into an optical fiber ﻿

Interlayer coupling controlled ordering and phases in polar vortex superlattices ﻿

Understanding the local structure, magnetism, and optical properties in layered compounds with d⁹ ions: insight into silver fluorides and K₂CuF₄ ﻿

Strain-induced ferromagnetic to antiferromagnetic crossover in d⁹-Ion (Cu²+ and Ag²+)-layered perovskites ﻿

Red shiftin optical excitationson layered copper perovskites under pressure: role of the orthorhombic instability ﻿

Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior ﻿

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model ﻿

Pressure effects on the antiferromagnetic order of the hydride CeRuSiH ﻿

Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds ﻿

Pressure effects on 3dn (n=4, 9) insulating compounds: long axis switch in Na₃MnF₆ not due to the Jahn-Teller effect ﻿

New ideas for understanding the structure and magnetism in AgF₂: prediction of ferroelasticity ﻿

Key role of deep orbitals in the dx²-y²-d₃z²-r² gap in tetragonal complexes and 10 Dq ﻿

Structural correlations in Cs₂CuCl₄: pressure dependence of electronic structures

Enhancing the sensitization efficiency of erbium doped organic complexes by heavy halogen substitution

Functionalisation of ligands through click chemistry: long-lived NIR emission from organic Er(III) complexes with a perfluorinated core and a hydrogen-containing shell

High sensitization efficiency and energy transfer routes for population inversion at low pump intensity in Er organic complexes for IR amplification

On the exchange bias effect in NiO nanoparticles with a core(antiferromagnetic)/shell (spin glass) morphology

Unlocking the potential of magnetotactic bacteria as magnetic hyperthermia agents

Introducing design strategies to preserve N-heterocycles throughout the on-surface synthesis of graphene nanostructures

Magnetic anisotropy in "scorpionate" first-row transition-metal complexes: a theoretical investigation

Pr³+-doped YPO₄ nanocrystal embedded into an optical fiber

Interlayer coupling controlled ordering and phases in polar vortex superlattices

Understanding the local structure, magnetism, and optical properties in layered compounds with d⁹ ions: insight into silver fluorides and K₂CuF₄

Strain-induced ferromagnetic to antiferromagnetic crossover in d⁹-Ion (Cu²+ and Ag²+)-layered perovskites

Red shiftin optical excitationson layered copper perovskites under pressure: role of the orthorhombic instability

Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model

Pressure effects on the antiferromagnetic order of the hydride CeRuSiH

Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds

Pressure effects on 3dn (n=4, 9) insulating compounds: long axis switch in Na₃MnF₆ not due to the Jahn-Teller effect

New ideas for understanding the structure and magnetism in AgF₂: prediction of ferroelasticity

Key role of deep orbitals in the dx²-y²-d₃z²-r² gap in tetragonal complexes and 10 Dq