Magnetic superexchange and mott insulator mechanisms in cubic perovskites: from first-principles to canonical models

Article

Inorganic Chemistry, 2025, 64(26), 13217-13223

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, TORAYA FERNÁNDEZ RUIZ, RICHARD DRONSKOWSKI, ÁNGEL MARTÍN-PENDÁS, PABLO GARCIA FERNANDEZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA

 01/06/2025

Many-body model for the cooperative Jahn-Teller effect in crystals and its associated orbital ordering

Article

Physical Review B, 2024, 109(20), 205150

 Authorship: TORAYA FERNÁNDEZ RUIZ, INES SANCHEZ DE MOVELLAN SAIZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ

 01/05/2024

Understanding pressure effects on structural, optical, and magnetic properties of CsMnF4 and other 3dn compounds

Article

Inorganic Chemistry, 2024, 63(29), 13231-13243

 Authorship: GUILLERMO SANTAMARIA FERNANDEZ, TORAYA FERNÁNDEZ RUIZ, JUAN MARIA GARCIA LASTRA, PABLO GARCIA FERNANDEZ, INES SANCHEZ DE MOVELLAN SAIZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA

 01/07/2024

Strain-phonon cooperation as a necessary ingredient to understand the Jahn-Teller effect in solids

Article

Journal of Physical Chemistry Letters, 2024, 15(25), 6476-6481

 Authorship: TORAYA FERNÁNDEZ RUIZ, INES SANCHEZ DE MOVELLAN SAIZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ

 01/06/2024

Internal electric fields and structural instabilities in insulating transition metal compounds: influence on optical properties

Article

ChemPhotoChem, 2024, 8(12), e202400024

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, PABLO GARCIA FERNANDEZ, JUAN MARIA GARCIA LASTRA, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/12/2024

Chemical bonding, 10Dq parameter and superexchange in the model compound KNiF3

Article

ChemPhysChem, 2024, 25(13), e202400006

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/07/2024

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

Article

Chemistry - A European Journal, 2023, 29(5), e202202933

 Authorship: DAVID CARRASCO BUSTURIA, INES SANCHEZ DE MOVELLAN SAIZ, ALEXANDER SOUGAARD TYGESEN, ARGHYA BHOWMIK, JUAN MARIA GARCIA LASTRA, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/01/2023

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

Article

Journal of Physical Chemistry C, 2023, 127(17), 8332 - 8341

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ

 01/05/2023

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

Article

Journal of Physical Chemistry C, 2023, 127(33), 16695-16708

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, GUILLERMO SANTAMARIA FERNANDEZ, PABLO GARCIA FERNANDEZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/08/2023

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

Article

Chemistry - A European Journal, 2022, 28(43), e202200948

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, DAVID CARRASCO BUSTURIA, JUAN MARIA GARCIA LASTRA, PABLO GARCIA FERNANDEZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 2022

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

Article

Journal of Physical Chemistry A, 2021, 125(11), 2284-2293

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/03/2021

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

Article

Chemistry - A European Journal, 2021, 27(54), 13582-13590

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, JORGE MORENO CEBALLOS, PABLO GARCIA FERNANDEZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/09/2021

Ground state and optical excitations in compounds with tetragonal CuF64- units: insight into KAlCuF6 and CuFAsF6

Article

Inorganic Chemistry, 2020, 59(1), 539-547

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/01/2020

Local structure and excitations in systems with CuF6 4- units: lack of Jahn-Teller effect in the low symmetry compound Na2CuF4

Article

Physical Chemistry Chemical Physics, 2020, 22(15), 7875-7887

 Authorship: INES SANCHEZ DE MOVELLAN SAIZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 2020

Explaining the optical spectrum of CrF2 and CuF2

Article

Physical Chemistry Chemical Physics, Vol. 21, Iss. 22, Pag. 11714-11723 (2019)

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/05/2019

Insight into Compounds with Cu(H 2 O) 6 2+ Units: new Ideas for Understanding Cu 2+ in Tutton Salts

Article

Journal of Physical Chemistry C, Vol. 123, Iss. 5, Pag. 3088-3101 (2019)

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, A. BHOWMIK, JUAN MARIA GARCIA LASTRA, PABLO GARCIA FERNANDEZ, MIGUEL MORENO MAS

 01/01/2019

Understanding the Structure and Ground State of the Prototype CuF 2 Compound Not Due to the Jahn-Teller Effect

Article

Inorganic Chemistry, Vol. 58, Iss. 7, Pag. 4609-4618 (2019)

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

 01/03/2019

Changing the usual interpretation of the structure and ground state of Cu2+-layered perovskites

Article

Journal of Physical Chemistry C, 2018, 122(9), 5071-5082

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ, NICOLAI RASK MATHIESEN, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS

 01/03/2018

Jahn-Teller and non-Jahn-Teller systems involving CuF64- units: role of the internal electric field in Ba2ZnF6:Cu2+ and other insulating systems

Article

Journal of Physical Chemistry C, 2017, 121(9), 5215-5224

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS

 01/03/2017

Large differences in the optical spectrum associated with the same complex: the effect of the anisotropy of the embedding lattice

Article

Inorganic Chemistry, 2017, 56(15), 8944-8953

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS

 2017

Stability and polaronic motion of self-trapped holes in silver halides: insight through DFT+U calculations

Article

Journal of Physical Chemistry C, 2016, 120, 8509-8524

 Authorship: S. LOFTAGER, PABLO GARCIA FERNANDEZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS, JUAN MARIA GARCIA LASTRA

 2016

A genuine Jahn-Teller system with compressed geometry and quantum effects originating from zero-point motion

Article

ChemPhysChem, 2016, 17(14), 2146-2156

 Authorship: JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS

 01/07/2016

Origin of the anomalous color of egyptian and han blue historical pigments: going beyond the complex approximation in ligand field theory

Article

Journal of Chemical Education, 2016, 93, 111-117

 Authorship: PABLO GARCIA FERNANDEZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA

 2016

Origin of the exotic blue color of copper-containing historical pigments

Article

Inorganic Chemistry, 2015, 54 (1), 192?199

 Authorship: PABLO GARCIA FERNANDEZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA

 2015