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Imaging Propagative Exciton Polaritons In Atomically Thin Wse2 Waveguides, F. Hu, Y. Luan, Jacob Speltz, D. Zhong, C. H. Liu, J. Yan, D. G. Mandrus, X. Xu, Zhe Fei 2019 Iowa State University, Ames Laboratory, and University of Colorado-Boulder

Imaging Propagative Exciton Polaritons In Atomically Thin Wse2 Waveguides, F. Hu, Y. Luan, Jacob Speltz, D. Zhong, C. H. Liu, J. Yan, D. G. Mandrus, X. Xu, Zhe Fei

Ames Laboratory Accepted Manuscripts

The exciton polariton (EP) is a half-light and half-matter quasiparticle that is promising for exploring both fundamental quantum phenomena as well as photonic applications. Van der Waals materials, such as transition-metal dichalcogenide (TMD), emerge as a promising nanophotonics platform due to its support of long propagative EPs even at room temperature. However, real-space studies have been limited to bulk crystal waveguides with a thickness no less than 60 nm. Here we report the nano-optical imaging of the transverse-electric EPs in WSe2 nanoflakes down to a few atomic layers, which can be turned on and off by tuning the polarization state ...


Predicting Complex Relaxation Processes In Metallic Glass, Yang Sun, Si-Xu Peng, Qun Yang, Feng Zhang, Meng-Hao Yang, Cai-Zhuang Wang, Kai-Ming Ho, Hai-Bin Yu 2019 Iowa State University and Ames Laboratory

Predicting Complex Relaxation Processes In Metallic Glass, Yang Sun, Si-Xu Peng, Qun Yang, Feng Zhang, Meng-Hao Yang, Cai-Zhuang Wang, Kai-Ming Ho, Hai-Bin Yu

Ames Laboratory Accepted Manuscripts

Relaxation processes significantly influence the properties of glass materials. However, understanding their specific origins is difficult; even more challenging is to forecast them theoretically. In this study, using microseconds molecular dynamics simulations together with an accurate many-body interaction potential, we predict that an Al90Sm10 metallic glass would have complex relaxation behaviors: In addition to the main (α) relaxation, the glass (i) shows a pronounced secondary (β) relaxation at cryogenic temperatures and (ii) exhibits an anomalous relaxation process (α2) accompanying α relaxation. Both of the predictions are verified by experiments. Computational simulations reveal the microscopic origins of relaxation processes: while the ...


Force Oscillations Distort Avalanche Shapes, Louis W. McFaul, Wendelin J. Wright, Jordan Sickle, Karin A. Dahmen 2019 University of Illinois at Urbana-Champaign

Force Oscillations Distort Avalanche Shapes, Louis W. Mcfaul, Wendelin J. Wright, Jordan Sickle, Karin A. Dahmen

Faculty Journal Articles

Contradictory scaling behavior in experiments testing the principle of universality may be due to external oscillations. Thus, the effect of damped oscillatory external forces on slip avalanches in slowly deformed solids is simulated using a mean-field model. Akin to a resonance effect, oscillatory driving forces change the dynamics of avalanches with durations close to the oscillation period. This problem can be avoided by tuning mechanical resonance frequencies away from the range of the inverse avalanche durations. The results provide critical guidance for experimental tests for universality and a quantitative understanding of avalanche dynamics under a wide range of driving conditions.


Non-Fermi-Liquid Types Of Behavior Associated With A Magnetic Quantum Critical Point In Sr(Co1-Xnix)(2)As-2 Single Crystals, Nediadath S. Sangeetha, Lin-Lin Wang, Andrei V. Smirnov, Volodymyr Smetana, A. V. Mudring, Duane D. Johnson, Makariy A. Tanatar, Ruslan Prozorov, David C. Johnston 2019 Ames Laboratory

Non-Fermi-Liquid Types Of Behavior Associated With A Magnetic Quantum Critical Point In Sr(Co1-Xnix)(2)As-2 Single Crystals, Nediadath S. Sangeetha, Lin-Lin Wang, Andrei V. Smirnov, Volodymyr Smetana, A. V. Mudring, Duane D. Johnson, Makariy A. Tanatar, Ruslan Prozorov, David C. Johnston

Materials Science and Engineering Publications

The compound SrCo2As2 with the body-centered tetragonal ThCr2Si2 structure is known to remain paramagnetic down to a temperature T=0.05 K, but inelastic neutron scattering studies have shown that both ferromagnetic (FM) and antiferromagnetic (AFM) fluctuations occur in single crystals. Thus it is of interest to study how the magnetism evolves on doping SrCo2As2. Previous work on polycrystalline samples of Sr(Co1−xNix)2As2 indicated the development of AFM order for 0Ab initioelectronic-structure calculations for x=0 and 0.15 indicate that a flat band with a peak in the density of states just above the Fermi energy is ...


Coulomb Excitation And Transport Properties Of Monolayer Graphene And The Alpha-T3 Lattice, Dipendra Dahal 2019 Graduate Center, City University of New York

Coulomb Excitation And Transport Properties Of Monolayer Graphene And The Alpha-T3 Lattice, Dipendra Dahal

All Dissertations, Theses, and Capstone Projects

In the past few years, I focused my attention in the study of 2D material's behavior, specifically graphene . We investigated several properties of graphene like transmission of particle through a potential barrier and demonstrated the effect of band gap to suppress the Klein tunneling at head on collision, we presented the results to get the criteria of negative refractive index and Klein tunneling through multiple barrier. Next, we have carried out the calculation of polarization function of graphene in the presence of magnetic field. The effect of integer Landau filling factor is shown and the portrayed results are presented ...


Optical And Collective Properties Of Excitons In 2d Semiconductors, Matthew N. Brunetti 2019 The Graduate Center, City University of New York

Optical And Collective Properties Of Excitons In 2d Semiconductors, Matthew N. Brunetti

All Dissertations, Theses, and Capstone Projects

We study the properties of excitons in 2D semiconductors (2DSC) by numerically solving the Schr\"{o}dinger equation for an interacting electron and hole in the effective mass approximation, then calculating optical properties such as the transition energies, oscillator strengths, and absorption coefficients. Our theoretical approach allows us to consider both direct excitons in monolayer (ML) 2DSC and spatially indirect excitons in heterostructures (HS) consisting of two 2DSC MLs separated by few-layer insulating hexagonal boron nitride (h-BN). In particular, we study indirect excitons in TMDC HS, namely MoS2, MoSe2, WS2, and WSe2; both direct and ...


Evolution Of Structural, Magnetic, And Transport Properties In Mnbi2−X Sbx Te4, Jiaqiang Yan, Satoshi Okamoto, Michael A. McGuire, Andrew F. May, Robert J. McQueeney, Brian C. Sales 2019 Oak Ridge National Laboratory

Evolution Of Structural, Magnetic, And Transport Properties In Mnbi2−X Sbx Te4, Jiaqiang Yan, Satoshi Okamoto, Michael A. Mcguire, Andrew F. May, Robert J. Mcqueeney, Brian C. Sales

Ames Laboratory Accepted Manuscripts

Here we report the evolution of structural, magnetic, and transport properties in MnBi2−xSbxTe4(0≤x≤2) single crystals. MnSb2Te4, isostructural to MnBi2Te4, is successfully synthesized in single-crystal form. Magnetic measurements suggest an antiferromagnetic order below TN=19K for MnSb2Te4 with the magnetic moments aligned along the crystallographic c axis. With increasing Sb content in MnBi2−xSbxTe4, the a-lattice parameter decreases linearly following Vegard's law, while the c-lattice parameter shows little compositional dependence. The contraction along a is caused by the reduction of the Mn-Te-Mn bond angle, while the Mn-Te bond length remains nearly constant. The antiferromagnetic ordering temperature ...


Analysis Of The London Penetration Depth In Ni-Doped Cakfe4 As4, D. Torsello, Kyuil Cho, Kamal R. Joshi, Sunil Ghimire, G. A. Ummarino, Naufer Nusran, Makariy A. Tanatar, William R. Meier, Mingyu Xu, Sergey L. Bud’ko, Paul C. Canfield, G. Ghigo, Ruslan Prozorov 2019 Politecnico di Torino, Istituto Nazionale di Fisica Nucleare, and Ames Laboratory

Analysis Of The London Penetration Depth In Ni-Doped Cakfe4 As4, D. Torsello, Kyuil Cho, Kamal R. Joshi, Sunil Ghimire, G. A. Ummarino, Naufer Nusran, Makariy A. Tanatar, William R. Meier, Mingyu Xu, Sergey L. Bud’Ko, Paul C. Canfield, G. Ghigo, Ruslan Prozorov

Ames Laboratory Accepted Manuscripts

We report combined experimental and theoretical analysis of superconductivity in CaK(Fe1−xNix)4As4 (CaK1144) for x=0, 0.017, and 0.034. To obtain the superfluid density ρ=[1+ΔλL(T)/λL(0)]−2, the temperature dependence of the London penetration depth ΔλL(T) was measured by using a tunnel-diode resonator (TDR) and the results agreed with the microwave coplanar resonator (MWR) with the small differences accounted for by considering a three orders of magnitude higher frequency of MWR. The absolute value of λL(T≪Tc)≈λL(0) was measured by using MWR, λL(5K)≈170±20 nm, which ...


Slowing Down Of Spin Glass Correlation Length Growth: Simulations Meet Experiments, Qiang Zhai, V. Martin-Mayor, Deborah L. Schlagel, Gregory G. Kenning, Raymond L. Orbach 2019 University of Texas at Austin

Slowing Down Of Spin Glass Correlation Length Growth: Simulations Meet Experiments, Qiang Zhai, V. Martin-Mayor, Deborah L. Schlagel, Gregory G. Kenning, Raymond L. Orbach

Ames Laboratory Accepted Manuscripts

The growth of the spin glass correlation length has been measured as a function of the waiting time tw on a single crystal of CuMn (6 at. %), reaching values ξ∼150 nm, larger than any other glassy correlation length measured to date. We find an aging rate dlntw/dlnξ larger than found in previous measurements, which evinces a dynamic slowing down as ξ grows. Our measured aging rate is compared with simulation results by the Janus Collaboration. After critical effects are taken into account, we find excellent agreement with the Janus data.


Multiple Ferromagnetic Transitions And Structural Distortion In The Van Der Waals Ferromagnet Vi3 At Ambient And Finite Pressures, Elena Gati, Yuji Inagaki, Tai Kong, Robert J. Cava, Yuji Furukawa, Paul C. Canfield, Sergey L. Bud’ko 2019 Iowa State University and Ames Laboratory

Multiple Ferromagnetic Transitions And Structural Distortion In The Van Der Waals Ferromagnet Vi3 At Ambient And Finite Pressures, Elena Gati, Yuji Inagaki, Tai Kong, Robert J. Cava, Yuji Furukawa, Paul C. Canfield, Sergey L. Bud’Ko

Ames Laboratory Accepted Manuscripts

We present a combined study of zero-field (51) V and I-127 NMR at ambient pressure and specific heat and magnetization measurements under pressure up to 2.08 GPa on bulk single crystals of the van der Waals ferromagnet VI3. At ambient pressure, our results consistently demonstrate that VI3 undergoes a structural transition at T-s approximate to 78 K, followed by two subsequent ferromagnetic transitions at T-FM1 approximate to 50 K and T-FM2 approximate to 36 K upon cooling. At lowest temperature (T < T-FM2), two magnetically ordered V sites exist, whereas only one magnetically ordered V site is observed for T-FM1 < T < T-FM2. Whereas T-FM1 is almost unaffected by external pressure, T-FM2 is highly responsive to pressure and merges with the T-FM1 line at p 0.6 GPa. At even higher pressures (p approximate to 1.25 GPa), the T-FM2 line merges with the structural transition at T-s which becomes moderately suppressed with p for p < 1.25 GPa. Taken together, our data point toward a complex magnetic structure and an interesting interplay of magnetic and structural degrees of freedom in VI3.


Studying Near-Critical And Super-Critical Fluids In Reduced Gravity, Christian Hawkins, Ana Oprisan, Carole Lecoutre-Chabot, Yves Garrabos, Daniel Beysens 2019 College of Charleston

Studying Near-Critical And Super-Critical Fluids In Reduced Gravity, Christian Hawkins, Ana Oprisan, Carole Lecoutre-Chabot, Yves Garrabos, Daniel Beysens

Journal of the South Carolina Academy of Science

Critical and supercritical fluids have a variety of applications, from use as machine lubricants in high pressure or high temperature environments to the manufacturing of materials such as aerogel. The optical properties of fluids undergo rapid changes near the critical point resulting in a rapid increase in turbidity known as critical opalescence. These optical changes can be used to probe the universality of critical behavior. As a fluid approaches the critical point, the compressibility rapidly increases. In a gravitational field, this increase in compressibility leads to near-critical fluids stratifying by phase and density, making it difficult to observe the optical ...


Correlations Between Short- And Long-Time Relaxation In Colloidal Supercooled Liquids And Glasses, Chandan K. Mishra, Xiaoguang Ma, Piotr Habdas, Kevin B. Aptowicz, A. G. Yodh 2019 University of Pennsylvania

Correlations Between Short- And Long-Time Relaxation In Colloidal Supercooled Liquids And Glasses, Chandan K. Mishra, Xiaoguang Ma, Piotr Habdas, Kevin B. Aptowicz, A. G. Yodh

Physics

Spatiotemporal dynamics of short- and long-time structural relaxation are measured experimentally as a function of packing fraction, φ, in quasi-two-dimensional colloidal supercooled liquids and glasses. The relaxation times associated with long-time dynamic heterogeneity and short-time intracage motion are found to be strongly correlated and to grow by orders of magnitude with increasing φ toward dynamic arrest. We find that clusters of fast particles on the two timescales often overlap, and, interestingly, the distribution of minimum-spatial-separation between closest nonoverlapping clusters across the two timescales is revealed to be exponential with a decay length that increases with φ. In total, the experimental ...


Fatigue-Resistant High-Performance Elastocaloric Materials Via Additive Manufacturing, Huilong Hou, Emrah Simsek, Tao Ma, Nathan S. Johnson, Suxin Qian, Cheikh Cissé, Drew Stasak, Naila Al Hasan, Lin Zhou, Yunho Hwang, Reinhard Radermacher, Valery I. Levitas, Matthew J. Kramer, Mohsen Asle Zaeem, Aaron P. Stebner, Ryan T. Ott, Jun Cui, Ichiro Takeuchi 2019 University of Maryland at College Park

Fatigue-Resistant High-Performance Elastocaloric Materials Via Additive Manufacturing, Huilong Hou, Emrah Simsek, Tao Ma, Nathan S. Johnson, Suxin Qian, Cheikh Cissé, Drew Stasak, Naila Al Hasan, Lin Zhou, Yunho Hwang, Reinhard Radermacher, Valery I. Levitas, Matthew J. Kramer, Mohsen Asle Zaeem, Aaron P. Stebner, Ryan T. Ott, Jun Cui, Ichiro Takeuchi

Valery I. Levitas

Elastocaloric cooling, which exploits the latent heat released and absorbed as stress-induced phase transformations are reversibly cycled in shape memory alloys, has recently emerged as a frontrunner in non-vapor-compression cooling technologies. The intrinsically high thermodynamic efficiency of elastocaloric materials is limited only by work hysteresis. Here, we report on creating high-performance low-hysteresis elastocaloric cooling materials via additive manufacturing of Titanium-Nickel (Ti-Ni) alloys. Contrary to established knowledge of the physical metallurgy of Ti-Ni alloys, intermetallic phases are found to be beneficial to elastocaloric performances when they are combined with the binary Ti-Ni compound in nanocomposite configurations. The resulting microstructure gives rise ...


Self-Consistent Two-Gap Description Of Mgb2 Superconductor, Hyunsoo Kim, Kyuil Cho, Makariy A. Tanatar, Valentin Taufour, Stella K. Kim, Sergey L. Bud’ko, Paul C. Canfield, Vladimir G. Kogan, Ruslan Prozorov 2019 Iowa State University and Ames Laboratory

Self-Consistent Two-Gap Description Of Mgb2 Superconductor, Hyunsoo Kim, Kyuil Cho, Makariy A. Tanatar, Valentin Taufour, Stella K. Kim, Sergey L. Bud’Ko, Paul C. Canfield, Vladimir G. Kogan, Ruslan Prozorov

Paul C. Canfield

A self-consistent two-gap γ -model is used to quantitatively describe several thermodynamic properties of MgB 2 superconductor. The superconducting coupling matrix, νij , was obtained from the fitting of the superfluid density in the entire superconducting temperature range. Using this input, temperature-dependent superconducting gaps, specific heat, and upper critical fields were calculated with no adjustable parameters and compared with the experimental data as well as with the first-principles calculations. The observed agreement between fit and data shows that γ -model provides adequate quantitative description of the two-gap superconductivity in MgB 2 and may serve as a relatively simple and versatile self-consistent ...


Tunneling Anisotropic Magnetoresistance In Ferroelectric Tunnel Junctions, Artem Alexandrov, M. Ye. Zhuravlev, Evgeny Y. Tsymbal 2019 Moscow Institute of Physics and Technology

Tunneling Anisotropic Magnetoresistance In Ferroelectric Tunnel Junctions, Artem Alexandrov, M. Ye. Zhuravlev, Evgeny Y. Tsymbal

Evgeny Tsymbal Publications

Using a simple quantum-mechanical model, we explore a tunneling anisotropic magnetoresistance (TAMR) effect in ferroelectric tunnel junctions (FTJs) with a ferromagnetic electrode and a ferroelectric barrier layer, where spontaneous polarization gives rise to the Rashba and Dresselhaus spin-orbit coupling (SOC). For realistic parameters of the model, we predict sizable TAMR measurable experimentally. For asymmetric FTJs, whose electrodes have different work functions, the built-in electric field affects the SOC parameters and leads to TAMR being dependent on the ferroelectric polarization direction. The SOC change with polarization switching affects tunneling conductance, revealing an alternative mechanism of tunneling electroresistance. These results demonstrate alternative ...


Composition-Dependent Stability Of The Medium-Range Order Responsible For Metallic Glass Formation, Feng Zhang, Min Ji, Xiao-Wei Fang, Yang Sun, Cai-Zhuang Wang, Mikhail I. Mendelev, Matthew J. Kramer, Ralph E. Napolitano, Kai-Ming Ho 2019 Iowa State University and Ames Laboratory

Composition-Dependent Stability Of The Medium-Range Order Responsible For Metallic Glass Formation, Feng Zhang, Min Ji, Xiao-Wei Fang, Yang Sun, Cai-Zhuang Wang, Mikhail I. Mendelev, Matthew J. Kramer, Ralph E. Napolitano, Kai-Ming Ho

Ralph E. Napolitano

The competition between the characteristic medium-range order corresponding to amorphous alloys and that in ordered crystalline phases is central to phase selection and morphology evolution under various processing conditions. We examine the stability of a model glass system, Cu–Zr, by comparing the energetics of various medium-range structural motifs over a wide range of compositions using first-principles calculations. We focus specifically on motifs that represent possible building blocks for competing glassy and crystalline phases, and we employ a genetic algorithm to efficiently identify the energetically favored decorations of each motif for specific compositions. Our results show that a Bergman-type motif ...


A Computational Study Of Diffusion In A Glass-Forming Metallic Liquid, T. Wang, F. Zhang, L. Yang, X. W. Fang, S. H. Zhou, Matthew J. Kramer, Cai-Zhuang Wang, Kai-Ming Ho, Ralph E. Napolitano 2019 Ames Laboratory

A Computational Study Of Diffusion In A Glass-Forming Metallic Liquid, T. Wang, F. Zhang, L. Yang, X. W. Fang, S. H. Zhou, Matthew J. Kramer, Cai-Zhuang Wang, Kai-Ming Ho, Ralph E. Napolitano

Ralph E. Napolitano

Liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In the computational study reported here, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a general ...


Diffraction Paradox: An Unusually Broad Diffraction Background Marks High Quality Graphene, Shen Chen, Michael Horn-von Hoegen, Patricia A. Thiel, Michael C. Tringides 2019 Iowa State University and Ames Laboratory

Diffraction Paradox: An Unusually Broad Diffraction Background Marks High Quality Graphene, Shen Chen, Michael Horn-Von Hoegen, Patricia A. Thiel, Michael C. Tringides

Patricia A. Thiel

The realization of the unusual properties of two-dimensional (2D) materials requires the formation of large domains of single-layer thickness, extending over the mesoscale. It is found that the formation of uniform graphene on SiC, contrary to textbook diffraction, is signaled by a strong bell-shaped component (BSC) around the (00) and G(10) spots (but not around the substrate spots). The BCS is also seen on graphene grown on metals, because a single uniform graphene layer can be also grown with large lateral size. It is only seen by electron diffraction but not with x-ray or He scattering. Although the origin ...


Magnetoelectric Effect At The Ni/Hfo2 Interface Induced By Ferroelectric Polarization, Qiong Yang, Lingling Tao, Zhen Jiang, Yichun Zhou, Evgeny Tsymbal, Vitaly Alexandrov 2019 University of Nebraska - Lincoln

Magnetoelectric Effect At The Ni/Hfo2 Interface Induced By Ferroelectric Polarization, Qiong Yang, Lingling Tao, Zhen Jiang, Yichun Zhou, Evgeny Tsymbal, Vitaly Alexandrov

Evgeny Tsymbal Publications

Driven by the technological importance of the recently discovered ferroelectric HfO2, we explore a magnetoelectric effect at the HfO2-based ferroelectric-ferromagnetic interface. Using density-functionaltheory calculations of the Ni/HfO2/Ni (001) heterostructure as a model system, we predict a stable and sizable ferroelectric polarization in a few-nm-thick HfO2 layer. For the Ni/HfO2 interface with opposite polarization directions (pointing to or away from the interface), we find a sizable difference in the interfacial Ni—O bonding, resulting in dissimilar degrees of depletion of the electron density around the interface. The latter affects the relative population ...


Fatigue-Resistant High-Performance Elastocaloric Materials Via Additive Manufacturing, Huilong Hou, Emrah Simsek, Tao Ma, Nathan S. Johnson, Suxin Qian, Cheikh Cissé, Drew Stasak, Naila Al Hasan, Lin Zhou, Yunho Hwang, Reinhard Radermacher, Valery I. Levitas, Matthew J. Kramer, Mohsen Asle Zaeem, Aaron P. Stebner, Ryan T. Ott, Jun Cui, Ichiro Takeuchi 2019 University of Maryland at College Park

Fatigue-Resistant High-Performance Elastocaloric Materials Via Additive Manufacturing, Huilong Hou, Emrah Simsek, Tao Ma, Nathan S. Johnson, Suxin Qian, Cheikh Cissé, Drew Stasak, Naila Al Hasan, Lin Zhou, Yunho Hwang, Reinhard Radermacher, Valery I. Levitas, Matthew J. Kramer, Mohsen Asle Zaeem, Aaron P. Stebner, Ryan T. Ott, Jun Cui, Ichiro Takeuchi

Aerospace Engineering Publications

Elastocaloric cooling, which exploits the latent heat released and absorbed as stress-induced phase transformations are reversibly cycled in shape memory alloys, has recently emerged as a frontrunner in non-vapor-compression cooling technologies. The intrinsically high thermodynamic efficiency of elastocaloric materials is limited only by work hysteresis. Here, we report on creating high-performance low-hysteresis elastocaloric cooling materials via additive manufacturing of Titanium-Nickel (Ti-Ni) alloys. Contrary to established knowledge of the physical metallurgy of Ti-Ni alloys, intermetallic phases are found to be beneficial to elastocaloric performances when they are combined with the binary Ti-Ni compound in nanocomposite configurations. The resulting microstructure gives rise ...


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