arXiv subjects

K. H. Ahn

Publications and source records attributed to K. H. Ahn.

At least 19 recordsLinked to original sources

arXiv2023

Coexistence of Anomalous Hall Effect and Weak Net Magnetization in Collinear Antiferromagnet MnTe

Anomalous Hall effect (AHE) plays important role in the rapidly developing field of antiferromagnetic spintronics. It has been recently discussed that it can be a feature of not only uncompensated magnetic systems but also in altermagnetic materials. Hexagonal MnTe belongs to this appealing group of compounds exhibiting AHE and is commonly perceived as magnetically compensated. Here, we demonstrate that bulk form of MnTe exhibits small but detectable magnetic moment correlating with hysteretic behaviour of the AHE. We formulate a phenomenological model which explains how this feature allows to create a disbalance between states with opposite Néel vector and prevent the AHE signal from averaging out to zero. Moreover, we show how the dependence of AHE on the Néel vector arises on microscopical level and highlight the differences in Berry curvature between magnetically compensated and uncompensated systems.

cond-mat.mes-hall↗

arXiv2014

Pressure Dependent Structural Changes and Predicted Electrical Polarization in Perovskite RMnO3

High pressure x-ray diffraction (XRD) measurements on RMnO3 (R=Dy, Ho and Lu) reveals that varying structural changes occurs for different R ions. Large lattice changes (orthorhombic strain) occur in DyMnO3 and HoMnO3 while the Jahn-Teller (JT) distortion remains stable. On the other hand, in LuMnO3, Mn-O bond distortions are observed in the region 4-8 GPa with the broad minimum in the JT distortion. High pressure IR measurements indicate that a phonon near 390 cm-1 corresponding to the complex motion of the Mn and O ions changes anomalously for LuMnO3. It softens in the 4-8 GPa region, which is consistent with the structural change in Mn-O bonds and then hardens at high pressures. By contrast, the phonons continuously harden with increasing pressure for DyMnO3 and HoMnO3. DFT calculations show that the E-phase LuMnO3 is the most stable phase up to the 10 GPa pressure examined. Simulations indicate that the distinct structural change under pressure in LuMnO3 can possibly be used to optimize the electric polarization by pressure/strain.

cond-mat.str-el↗

arXiv2014

Nature of Structural Changes Near the Magnetic Ordering Temperature in Small-Ion Rare Earth Perovskites RMnO3

Detailed structural measurements were conducted on a new perovskite, ScMnO3, and on orthorhombic LuMnO3. Complementary density functional theory (DFT) calculations were carried out, and predict that ScMnO3 possesses E-phase magnetic order at low temperature with displacements of the Mn sites (relative to the high temperature state) of ~0.07 Å, compared to ~ 0.04 Å predicted for LuMnO3. However, detailed local, intermediate and long-range structural measurements by x-ray pair distribution function analysis, single crystal x-ray diffraction and x-ray absorption spectroscopy, find no local or long- range distortions on crossing into the low temperature E-phase of the magnetically ordered state. The measurements place upper limits on any structural changes to be at most one order of magnitude lower than density functional theory predictions and suggest that this theoretical approach does not properly account for the spin-lattice coupling in these oxides and may possibly predict the incorrect magnetic order at low temperatures. The results suggest that the electronic contribution to the electrical polarization dominates and should be properly treated in theoretical models.

cond-mat.str-el↗

arXiv2013

Momentum dependence in K-edge resonant inelastic x-ray scattering and its application to screening dynamics in CE-phase La$_{0.5}$Sr$_{1.5}$MnO$_4$

We present a formula for the calculation of K-edge resonant inelastic x-ray scattering on transition metal compounds, based on a local interaction between the valence shell electrons and the $1s$ core hole. Extending a previous result, we include explicit momentum dependence and a basis with multiple core-hole sites. We apply this formula to a single-layered charge, orbital and spin ordered manganite, La$_{0.5}$Sr$_{1.5}$MnO$_4$, and obtain good agreement with experimental data, in particular with regards to the large variation of the intensity with momentum. We find that the screening in La$_{0.5}$Sr$_{1.5}$MnO$_4$ is highly localized around the core-hole site and demonstrate the potential of K-edge resonant inelastic x-ray scattering as a probe of screening dynamics in materials.

cond-mat.mtrl-sci↗

arXiv2012

Strongly momentum-dependent screening dynamics in La$_{0.5}$Sr$_{1.5}$MnO$_4$ observed with resonant inelastic x-ray scattering

We report strongly momentum-dependent local charge screening dynamics in CE-type charge, orbital, and spin ordered La$_{0.5}$Sr$_{1.5}$MnO$_4$, based on Mn K-edge resonant inelastic x-ray scattering data. Through a comparison with theoretical calculations, we show that the observed momentum dependence reflects highly localized, nearest neighbor screening of the transient local charge perturbation in this compound with an exciton-like screening cloud, rather than delocalized screening. The size of the screening cloud is estmated to be about 0.4-0.5 interatomic distances.

cond-mat.str-el↗

arXiv2012

Strain-induced metal-insulator phase coexistence and stability in perovskite manganites

We present a detailed study of a model for strain-induced metal-insulator phase coexistence in perovskite manganites. Both nanoscale and mesoscale inhomogeneities are self-consistently described using atomic scale modes and their associated constraint equations. We also examine the stability of domain configurations against uniform and nonuniform modifications of domain walls. Our results show that the long range interactions between strain fields and the complex energy landscape with multiple metastable states play essential roles in stabilizing metal-insulator phase coexistence, as observed in perovskite manganites. We elaborate on the modes, constraint equations, energies, and energy gradients that form the basis of our simulation results.

cond-mat.str-el↗

arXiv2012

Symmetry-mode-based classical and quantum mechanical formalism of lattice dynamics

We present classical and quantum mechanical descriptions of lattice dynamics, from the atomic to the continuum scale, using atomic scale symmetry modes and their constraint equations. This approach is demonstrated for a one-dimensional chain and a two-dimensional square lattice with a monatomic basis. For the classical description, we find that rigid modes, in addition to the distortional modes found before, are necessary to describe the kinetic energy. The long wavelength limit of the kinetic energy terms expressed in terms of atomic scale modes is shown to be consistent with the continuum theory, and the leading order corrections are obtained. For the quantum mechanical description, we find conjugate momenta for the atomic scale symmetry modes. In direct space, graphical rules for their commutation relations are obtained. Commutation relations in the reciprocal space are also calculated. As an example, phonon modes are analyzed in terms of symmetry modes. We emphasize that the approach based on atomic scale symmetry modes could be useful, for example, for the description of multiscale lattice dynamics and the dynamics near structural phase transition.

cond-mat.mtrl-sci↗

arXiv2012

Effects of rare earth ion size on the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites

We present a theoretical study on the relation between the size of the rare earth ions, often known as chemical pressure, and the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites. Using a Keating model expressed in terms of atomic scale symmetry modes, we show that there exists a coupling between the uniform shear distortion and the staggered buckling distortion within the Jahn-Teller energy term. It is found that this coupling provides a mechanism by which the coherent Jahn-Teller distortion is more stabilized by smaller rare earth ions. We analyze the appearance of the uniform shear distortion below the Jahn-Teller ordering temperature, estimate the Jahn-Teller ordering temperature and its variation between NdMnO3 and LaMnO3, and obtain the relations between distortions. We find good agreement between theoretical results and experimental data.

cond-mat.mtrl-sci↗

arXiv2011

Measurements and ab initio Molecular Dynamics Simulations of the High Temperature Ferroelectric Transition in Hexagonal RMnO3

Measurements of the structure of hexagonal RMnO3 (R=rare earths (Ho) and Y) for temperatures significantly above the ferroelectric transition temperature (TFE) were conducted to determine the nature of the transition. The local and long range structural measurements were complemented by ab initio molecular dynamics simulations. With respect to the Mn sites in YMnO3 and HoMnO3, we find no large atomic (bond distances or thermal factors), electronic structure changes or rehybridization on crossing TFE from local structural methods. The local symmetry about the Mn sites is preserved. With respect to the local structure about the Ho sites, a reduction of the average Ho-O bond with increased temperature is found. Ab initio molecular dynamics calculations on HoMnO3 reveal the detailed motions of all ions. Above ~900 K there are large displacements of the Ho, O3 and O4 ions along the z-axis which reduce the buckling of the MnO3/O4 planes. The changes result in O3/O4 ions moving to towards central points between pairs of Ho ions on the z-axis. These structural changes make the coordination of Ho sites more symmetric thus extinguishing the electric polarization. At significantly higher temperatures, rotation of the MnO5 polyhedra occurs without a significant change in electric polarization. The born effective charge tensor is found to be highly anisotropic at the O sites but does not change appreciably at high temperatures.

cond-mat.mtrl-sci↗

arXiv2011

High Pressure Structural Stability of Multiferroic Hexagonal REMnO3

Structural changes in REMnO3 (RE= Y, Ho, Lu) under high pressure were examined by synchrotron x-ray diffraction methods at room temperature. Compression occurs more readily in the ab plane than along the c-axis. Under hydrostatic pressure (~11 GPa), the atoms hold their approximate ambient fractional positions in the unit cell and the spontaneous polarization shows no significant change. With increased pressure, a pressure-induced hexagonal to orthorhombic phase transition was observed starting at ~ 22GPa for Lu(Y)MnO3. A small volume fraction of Lu(Y)MnO3 is converted to the orthorhombic phase when the pressure is increased to 35 GPa and the orthorhombic phase is maintained on pressure release. High pressure IR absorption spectroscopy and Mn K-edge near edge x-ray absorption spectroscopy confirm that the hexagonal P63cm structure is stable below ~20 GPa and the environment around Mn ion is not changed. Shifts in the unoccupied p-band density of states with pressure are observed in the Mn K-Edge spectra. A schematic pressure-temperature phase diagram is given for the small ion REMnO3 system.

cond-mat.mtrl-sci↗

arXiv2011

Optical identification of hybrid magnetic and electric excitations in Dy3Fe5O12 garnet

Far-infrared spectra of magneto-dielectric Dy3Fe5O12 garnet were studied between 13 and 100 cm-1 and at low temperatures between 5 and 80 K. A combination of transmission, reflectivity, and rotating analyzer ellipsometry was used to unambiguously identify the type of the dipole activity of the infrared modes. In addition to purely dielectric and magnetic modes, we observed several hybrid modes with a mixed magnetic and electric dipole activity. These modes originate from the superexchange between magnetic moments of Fe and Dy ions. Using 4x4 matrix formalism for materials with Mu=/=1, we modeled the experimental optical spectra and determined the far-infrared dielectric and magnetic permeability functions. The matching condition Mu(Wh)*Se=Eps(Wh)*Sm for the oscillator strengths Se(m) explains the observed vanishing of certain hybrid modes at Wh in reflectivity.

cond-mat.str-el↗

arXiv2010

Coupling between magnon and ligand-field excitations in magnetoelectric Tb3Fe5O12 garnet

The spectra of far-infrared transmission in Tb3Fe5O12 magnetoelectric single crystals have been studied in the range between 15 and 100 cm-1, in magnetic fields up to 10 T, and for temperatures between 5 and 150 K. We attribute some of the observed infrared-active excitations to electric-dipole transitions between ligand-field split states of Tb3+ ions. Anticrossing between the magnetic exchange excitation and the ligand-field transition occurs at the temperature between 60 and 80 K. The corresponding coupling energy for this interaction is 6 cm-1. Temperature-induced softening of the hybrid IR excitation correlates with the increase of the static dielectric constant. We discuss the possibility for hybrid excitations of magnons and ligand-field states and their possible connection to the magnetoelectric effect in Tb3Fe5O12.

cond-mat.str-el↗

arXiv2009

Spin-Coupled Local Distortions in Multiferroic Hexagonal HoMnO3

Local structural measurements have been performed on hexagonal HoMnO3 in order to ascertain the specific changes in bond distances which accompany magnetic ordering transitions. The transition from paramagnetic to the antiferromagetic (noncollinear) phase near ~70 K is dominated by changes in the a-b plane Mn-Mn bond distances. The spin rotation transition near ~40 K involves both Mn-Mn and nearest neighbor Ho-Mn interactions while the low temperature transition below 10 K involves all interactions, Mn-Mn, Ho-Mn (nearest and next nearest) and Ho-Ho correlations. These changes in bond distances reveal strong spin-lattice coupling. The similarity in magnitude of the change in J(Mn-Mn) and J(Ho-Mn) enhances the system frustration. The structural changes are interpreted in terms of a model of competing spin order and local structural distortions. Density functional calculations are used to estimate the energies associated with ionic displacements. The calculations also reveal asymmetric polarization of the charge density of Ho, O3 and O4 sites along the z-axis in the ferroelectric phase. This polarization facilitates coupling between Ho atoms on neighboring planes normal to the z-axis.

cond-mat.str-el↗

arXiv2008

Infrared-active excitations related to Ho3+ ligand-field splitting at the commensurate-incommensurate magnetic phase transition in HoMn2O5

Linearly polarized spectra of far-infrared (IR) transmission in HoMn2O5 multiferroic single crystals have been studied in the frequency range between 8.5 and 105 cm-1 and for temperatures between 5 K and 300 K. Polarization of IR-active excitations depends on the crystallographic directions in HoMn2O5 and is sensitive to the magnetic phase transitions. We attribute some of the infrared-active excitations to electric-dipole transitions between ligand-field split states of Ho3+ ions. For light polarization along crystalline b-axis, the oscillator strength of electric dipoles at low frequencies (10.5, 13, and 18 cm-1) changes significantly at the commensurate-incommensurate antiferromagnetic phase transition at T3 = 19 K. This effect shows a strong correlation with the pronounced steps of the b-directional static dielectric function. We propose that the ligand field (LF) on Ho3+ connects the magnetism and dielectric properties of this compound through coupling with the Mn spin structure. We comment on the possibility for composite excitations of magnons and excited LF states.

cond-mat.str-el↗

arXiv2008

Dynamics and Spectral Weights of Shake-up Valence Excitations in Transition Metal K-edge Resonant Inelastic X-ray Scattering

Using a model Hamiltonian, we discuss how we could interpret data obtained from transition metal $K$-edge resonant inelastic x-ray scattering (RIXS) experiments. By analyzing the creation of valence excitations from the screening of the core hole and calculating corresponding RIXS spectra for metals and insulators, we find that the probability for excitations depends not only on the total energy but also on the asymmetric screening dynamics between electrons and holes.

cond-mat.mtrl-sci↗

arXiv2008

Epitaxial checkerboard arrangement of nanorods in ZnMnGaO4 films studied by x-ray diffraction

The intriguing nano-structural properties of a ZnMnGaO4 film epitaxially grown on MgO (001) substrate have been investigated using synchrotron radiation-based x-ray diffraction. The ZnMnGaO4 film consisted of a self-assembled checkerboard (CB) structure with perfectly aligned and regularly spaced vertical nanorods. The lattice parameters of the orthorhombic and rotated tetragonal phases of the CB structure were analyzed using H-K, H-L, and K-L cross sections of the reciprocal space maps measured around various symmetric and asymmetric reflections of the spinel structure. We demonstrate that the symmetry of atomic displacements at the phases boundaries provides the means for coherent coexistence of two domains types within the volume of the film.

cond-mat.mtrl-sci↗

arXiv2008

Origin of the Non-Linear Pressure Effects in Perovskite Manganites: Buckling of Mn-O-Mn Bonds and Jahn-Teller Distortion of the MnO6 Octahedra Induced by Pressure

High-pressure resistivity and x-ray diffraction have been measured on La0.85MnO3-d. At low pressures the metal-insulator transition temperature (TMI) increases linearly with pressure up to a critical pressure, P* ~ 3.4 GPa, which is followed by reduction of TMI with increasing pressure. Analysis of the bond distances and bond angles reveal that a bandwidth increase drives the in-crease of TMI for pressure below P*. The reduction of TMI at higher pressures is found to result from Jahn-Teller distortions of the MnO6 octahedra. The role of anharmonic interatomic potential is discussed.

cond-mat.mtrl-sci↗

arXiv2007

Nematic domains and resistivity in an itinerant metamagnet coupled to a lattice

The nature of the emergent phase near a putative quantum critical point in the bilayer ruthenate Sr$_3$Ru$_2$O$_7$ has been a recent subject of intensive research. It has been suggested that this phase may possess electronic nematic order(ENO). In this work, we investigate the possibility of nematic domain formation in the emergent phase, using a phenomenological model of electrons with ENO and its coupling to lattice degrees of freedom. The resistivity due to the scattering off the domain walls is shown to closely follow the ENO parameter. Our results provide qualitative explanations for the dependence of the resistivity on external magnetic fields in Sr$_3$Ru$_2$O$_7$.

cond-mat.str-el↗