84 citations · 438 across the 23 of their papers we have counts for
17 papers · 1 filter
Lattice dynamics of the charge density wave compounds TaTe and NbTe and their evolution across solid solutions
D. Silvera-Vega, G. Cardenas-Chirivi, J. A. Galvis +2
Understanding lattice dynamics is central to elucidating the microscopic origin of charge density waves (CDWs), particularly in materials where electron-phonon coupling can play a…
Efficiency of band edge optical transitions of 2D monolayer materials: A high-throughput computational study
A. F. Gómez-Bastidas, Karthik Sriram, A. C. Garcia-Castro +1
We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers wi…
Large geometric polarization and magnetic behavior in the multiferroic quasi-2D SrNiF fluoride
W. Ibarra-Hernández, A. Bautista-Hernández, A. C. Garcia-Castro
In the last decades, multifunctional single-crystals that show, for example, multiferroic and magnetoelectric responses have attracted considerable attention due to the potential a…
Promises and technological prospects of two-dimensional Rashba materials
Arjyama Bordoloi, A. C. Garcia-Castro, Zachary Romestan +2
The Rashba spin-orbit coupling effect, primarily arising from structural-inversion asymmetry in periodic crystals, has garnered considerable attention due to its tunability and pot…
Spin-phonon coupling suppressing the structural transition in perovskite-like oxide
Shalini Badola, Supratik Mukherjee, Greeshma Sunil +5
Multifunctional properties in quantum systems require the interaction between different degrees of freedom. As such, spin-phonon coupling emerges as an ideal mechanism to tune mult…
Direct observation of discommensurate charge density wave modulation in the quasi-1D Weyl semimetal candidate NbTe
J. A. Galvis, A. Fang, D. Jimenez-Guerrero +8
The transition-metal tetrachalcogenides are a model system to explore the conjunction of correlated electronic states such as charge density waves (CDW), with topological phases of…
Exploration of the spin-phonon coupling in the noncollinear antiferromagnetic antiperovskite MnNiN
L. Florez-Gomez, W. Ibarra-Hernandez, A. C. Garcia-Castro
Antiferromagnetic antiperovskites, of the form MnN ( = Ni, Cu, Zn, Sn, Ir, and Pt), have shown an outstanding behavior in which, giant negative thermal expansion and chiral…
Incipient geometric lattice instability of cubic fluoroperovskites
R. M. Dubrovin, A. C. Garcia-Castro, N. V. Siverin +4
Inorganic metal halide perovskites are promising materials for next-generation technologies due to a plethora of unique physical properties, many of which cannot be observed in the…
Lattice dynamics across the ferroelastic phase transition in Ba2ZnTeO6: A Raman and first-principles study
Shalini Badola, Supratik Mukherjee, B. Ghosh +4
Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note,…
Engineering of Ferroic Orders in Thin Films by Anionic Substitution
A. C. Garcia-Castro, Yanjun Ma, Zachary Romestan +3
Multiferroics are a unique class of materials where magnetic and ferroelectric orders coexist. The research on multiferroics contributes significantly to the fundamental understand…
Structural and electronic phenomena at oxyfluoride KTaO/KF ( = Zn and Ni) superlattices: Rashba splitting and 2DEG
A. C. Garcia-Castro, R. Ospina, Philippe Ghosez +2
Here, we present the theoretical analysis of the structural and electronic degrees of freedom of two different oxide/fluoride perovskite superlattices, KTaO/KZnF and KTaO$_…
Rashba spin-splitting in ferroelectric oxides: from rationalizing to engineering
Hania Djani, Andres Camilo Garcia-Castro, Wen-Yi Tong +4
Ferroelectric Rashba semiconductors (FERSC), in which Rashba spin-splitting can be controlled and reversed by an electric field, have recently emerged as a new class of functional…
Direct magnetization-polarization coupling in BaCuF fluoride
A. C. Garcia-Castro, W. Ibarra-Hernandez, Eric Bousquet +1
Despite oxides and some fluorides perovskites have emerged as prototypes of multiferroic and magnetoelectric materials, they have not impacted real devices. Unfortunately, their wo…
Prediction of a controllable Weyl semi-metallic phase in inversion-asymmetric BiSb
Sobhit Singh, A. C. Garcia-Castro, Irais Valencia-Jaime +2
Recent experimental realization of long sought Weyl fermions in non-magnetic crystals has greatly motivated condensed matter physicists to search for materials supporting Weyl ferm…
Strain engineering multiferroism in Pnma NaMnF3 fluoroperovskite
A. C. Garcia-Castro, A. H. Romero, E. Bousquet
In this study we show from first principles calculations the possibility to induce multiferroic and magnetoelectric functional properties in the Pnma NaMnF3 fluoroperovskite by mea…
First-Principles study of vibrational and non-collinear magnetic properties of the perovskite to post-perovskite pressure transition of NaMnF3
A. C. Garcia-Castro, A. H. Romero, E. Bousquet
We performed a first-principles study of the structural, vibrational, electronic and magnetic properties of NaMnF3 under applied isotropic pressure. We found that NaMnF3 undergoes…
Geometric Ferroelectricity in Fluoro-Perovskites
A. C. Garcia-Castro, N. A. Spaldin, A. H. Romero +1
We used first-principles calculations to investigate the existence and origin of the ferroelectric in- stability in the ABF3 fluoro-perovskites. We find that many fluoro-perovskite…