Zobrazeno 1 - 10
of 373
pro vyhledávání: '"ROMERO ALDO, H."'
Autor:
Rahman, Chowdhury Mohammad Abid, Bhandari, Ghadendra, Nasrabadi, Nasser M, Romero, Aldo H., Gyawali, Prashnna K.
Machine learning (ML) models have emerged as powerful tools for accelerating materials discovery and design by enabling accurate predictions of properties from compositional and structural data. These capabilities are vital for developing advanced te
Externí odkaz:
http://arxiv.org/abs/2407.18847
Autor:
Dubrovin, R. M., Tellez-Mora, A., Garcia-Castro, A. C., Siverin, N. V., Novikova, N. N., Boldyrev, K. N., Mashkovich, E. A., Romero, Aldo H., Pisarev, R. V.
Publikováno v:
Phys. Rev. B 109, 224312 (2024)
The coupling between antiferromagnetic spins and infrared-active phonons in solids is responsible for many intriguing phenomena and is a field of intense research with extensive potential applications in the modern devices based on antiferromagnetic
Externí odkaz:
http://arxiv.org/abs/2406.15574
Autor:
Bousquet, Eric, Fava, Mauro, Romestan, Zachary, Gómez-Ortiz, Fernando, McCabe, Emma E., Romero, Aldo H.
Chirality refers to the asymmetry of objects that cannot be superimposed on their mirror image. It is a concept that exists in various scientific fields and has profound consequences. Although these are perhaps most widely recognized within biology,
Externí odkaz:
http://arxiv.org/abs/2406.14684
We compare the various chirality measures most widely used in the literature to quantify chiral symmetry in extended solids, i.e., the continuous chirality measure, the Hausdorff distance, and the angular momentum. By studying these functions in an a
Externí odkaz:
http://arxiv.org/abs/2405.16268
We demonstrate through first-principles calculations applied to the K$_{3}$NiO$_{2}$ crystal that a structural phase transition from an achiral to a chiral phase can be mediated by a degenerate soft phonon mode and controlled by pressure and epitaxia
Externí odkaz:
http://arxiv.org/abs/2405.12696
The Rashba spin-orbit coupling effect, primarily arising from structural-inversion asymmetry in periodic crystals, has garnered considerable attention due to its tunability and potential applications in spintronics. Its capability to manipulate elect
Externí odkaz:
http://arxiv.org/abs/2404.15071
We study from first-principles calculations the ferroelectric structural phase transition of Pb$_5$Ge$_3$O$_{11}$ crystal. The calculations of phonons and Born effective charges of the paraelectric phase allow us to identify a polar instability that
Externí odkaz:
http://arxiv.org/abs/2311.14466
Autor:
Wang, Hai-Chen, Huran, Ahmad W., Marques, Miguel A. L., Nalabothula, Muralidhar, Wirtz, Ludger, Romestan, Zachary, Romero, Aldo H.
We study two-dimensional noble metal chalcogenides, with composition {Cu, Ag, Au}2{S, Se, Te}, crystallizing in a snub-square lattice. This is a semi-regular two-dimensional tesselation formed by triangles and squares that exhibits geometrical frustr
Externí odkaz:
http://arxiv.org/abs/2310.12048
Publikováno v:
Physical Review Materials, 6, 125003, (2022)
Antiferromagnetic antiperovskites, where magnetically active 3$d$ metal cations are placed in the octahedral corners of a perovskite structure, are in the spotlight due to their intertwined magnetic structure and topological properties. Especially th
Externí odkaz:
http://arxiv.org/abs/2310.09616
We explore from first-principles calculations the ferroelectric material Pb5Ge3O11 as a model for controlling the spin-orbit interaction (SOC) in crystalline solids. The SOC has a surprisingly strong effect on the structural energy landscape by deepe
Externí odkaz:
http://arxiv.org/abs/2307.09545