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Condensed Matter Physics

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Full-Text Articles in Physics

A Diffraction Paradox: An Unusually Broad Diffraction Background Signals Ideal Graphene, Shen Chen, Michael Horn-Von Hoegen, Patricia A. Thiel, Michael C. Tringides Oct 2019

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

Patricia A. Thiel

The realization of the unusual properties of 2-d materials requires the formation of large domains of single layer thickness, extending over the mesoscale. It is found that the formation of ideal graphene on SiC, contrary to textbook diffraction , is signaled by a strong bell-shaped-component (BSC) around the (00) and G(10), but not the SiC(10) spots.The BSC is also seen for graphene on metals, because single layer uniform graphene with large lateral size can also be grown. It is only seen by electron diffraction and not with X-ray or He-scattering experiments. Most likely it originates from the spatial ...


In Situ Investigation Of Magnetism In Metastable Phases Of Levitated Fe83b17 During Solidification, D. G. Quirinale, D. Messina, G. E. Rustan, Andreas Kreyssig, Ruslan Prozorov, Alan I. Goldman Oct 2019

In Situ Investigation Of Magnetism In Metastable Phases Of Levitated Fe83b17 During Solidification, D. G. Quirinale, D. Messina, G. E. Rustan, Andreas Kreyssig, Ruslan Prozorov, Alan I. Goldman

A. I. Goldman

In situ measurements of structure, density, and magnetization on samples of Fe83B17 using an electrostatic levitation furnace allow us to identify and correlate the magnetic and structural transitions in this system during its complex solidification process. In particular, we identify magnetic ordering in the metastable Fe23B6/ fcc Fe coherently grown structures and primitive tetragonal Fe3B metastable phase in addition to characterizing the equilibrium Fe2B phase. Our measurements demonstrate that the incorporation of a tunnel-diode oscillator circuit within an electrostatic levitation furnace enables investigations of the physical properties of high-temperature metastable structures.


Distinct Pressure Evolution Of Coupled Nematic And Magnetic Orders In Fese, Anna E. Böhmer, Karunakar Kothapalli, Wageesha T. Jayasekara, John M. Wilde, Bing Li, Aashish Sapkota, Benjamin G. Ueland, Pinaki Das, Yumin Xiao, Wenli Bi, Jiyong Zhao, E. Ercan Alp, Sergey L. Bud’Ko, Paul C. Canfield, Alan I. Goldman, Andreas Kreyssig Oct 2019

Distinct Pressure Evolution Of Coupled Nematic And Magnetic Orders In Fese, Anna E. Böhmer, Karunakar Kothapalli, Wageesha T. Jayasekara, John M. Wilde, Bing Li, Aashish Sapkota, Benjamin G. Ueland, Pinaki Das, Yumin Xiao, Wenli Bi, Jiyong Zhao, E. Ercan Alp, Sergey L. Bud’Ko, Paul C. Canfield, Alan I. Goldman, Andreas Kreyssig

A. I. Goldman

We present a microscopic study of nematicity and magnetism in FeSe over a wide temperature and pressure range using high-energy x-ray diffraction and time-domain Mössbauer spectroscopy. The low-temperature magnetic hyperfine field increases monotonically up to ∼ 6 GPa. The orthorhombic distortion initially decreases under increasing pressure but is stabilized at intermediate pressures by cooperative coupling to the pressure-induced magnetic order. Close to the reported maximum of the superconducting critical temperature at p = 6.8 GPa , the orthorhombic distortion suddenly disappears and a new tetragonal magnetic phase occurs. The pressure and temperature evolution of the structural and magnetic order parameters suggests that ...


Heisenberg Model Analysis On Inelastic Powder Neutron Scattering Data Using Parent And K Doped Bamn2as2 Samples, Mehmet Ramazanoglu, Aashish Sapkota, Abhishek Pandey, Jagat Lamsal, Douglas L. Abernathy, Jennifer L. Niedziela, Matthew B. Stone, R. Salci, D. A. Acar, F. O. Oztirpan, Şener Ozonder, Andreas Kreyssig, Alan I. Goldman, David C. Johnston, Robert J. Mcqueeney Oct 2019

Heisenberg Model Analysis On Inelastic Powder Neutron Scattering Data Using Parent And K Doped Bamn2as2 Samples, Mehmet Ramazanoglu, Aashish Sapkota, Abhishek Pandey, Jagat Lamsal, Douglas L. Abernathy, Jennifer L. Niedziela, Matthew B. Stone, R. Salci, D. A. Acar, F. O. Oztirpan, Şener Ozonder, Andreas Kreyssig, Alan I. Goldman, David C. Johnston, Robert J. Mcqueeney

A. I. Goldman

Low temperature powder inelastic neutron scattering measurements were performed on three different powder samples; parent BaMn2As2,12.5% K-doped Ba0.875K0.125Mn2As2 and 25% K-doped Ba(0.75)K0.25Mn2As2. The Heisenberg Model involving J1‐J2‐Jz coupling constants were compared to the data by a powder integration routine using Monte Carlo integration methods. The best magnetic parameters were selected using a chi-square test where model intensities were compared to the full (q,E) dependence of magnetic scattering. A key step to this analysis is the characterization of the background which is formed mostly by phonon scattering intensities along with ...


Antiferromagnetic Stacking Of Ferromagnetic Layers And Doping-Controlled Phase Competition In Ca1−X Srx Co2−Y As2, Bing Li, Yuriy Sizyuk, Nediadath S. Sangeetha, John M. Wilde, Pinaki Das, W. Tian, David C. Johnston, Alan I. Goldman, Andreas Kreyssig, Peter P. Orth, Robert J. Mcqueeney, Benjamin G. Ueland Oct 2019

Antiferromagnetic Stacking Of Ferromagnetic Layers And Doping-Controlled Phase Competition In Ca1−X Srx Co2−Y As2, Bing Li, Yuriy Sizyuk, Nediadath S. Sangeetha, John M. Wilde, Pinaki Das, W. Tian, David C. Johnston, Alan I. Goldman, Andreas Kreyssig, Peter P. Orth, Robert J. Mcqueeney, Benjamin G. Ueland

A. I. Goldman

In search of a quantum phase transition between the two-dimensional (2D) ferromagnetism of CaCo2−yAs2 and stripe-type antiferromagnetism in SrCo2 As2, we instead find evidence for 1D magnetic frustration between magnetic square Co layers. We present neutron-diffraction data for Ca1−x Srx Co2−y As2 that reveal a sequence of x -dependent magnetic transitions which involve different stacking of 2 D ferromagnetically aligned layers with different magnetic anisotropy. We explain the x-dependent changes to the magnetic order by utilizing classical analytical calculations of a 1D Heisenberg model where single-ion magnetic anisotropy and frustration of antiferromagnetic nearest- and next-nearest-layer exchange interactions ...


Crystal Growth, Microstructure, And Physical Properties Of Srmnsb2, Yong Liu, Tao Ma, Warren E. Straszheim, Farhan Islam, Brandt A. Jensen, Wei Tian, Thomas Heitmann, R. A. Rosenberg, John M. Wilde, Bing Li, Andreas Kreyssig, Alan I. Goldman, Benjamin G. Ueland, Robert J. Mcqueeney, David Vaknin Oct 2019

Crystal Growth, Microstructure, And Physical Properties Of Srmnsb2, Yong Liu, Tao Ma, Warren E. Straszheim, Farhan Islam, Brandt A. Jensen, Wei Tian, Thomas Heitmann, R. A. Rosenberg, John M. Wilde, Bing Li, Andreas Kreyssig, Alan I. Goldman, Benjamin G. Ueland, Robert J. Mcqueeney, David Vaknin

A. I. Goldman

We report on the crystal and magnetic structures and magnetic and transport properties of SrMnSb2 single crystals grown by the self-flux method. Magnetic susceptibility measurements reveal an antiferromagnetic (AFM) transition at TN=295(3) K. Above TN, the susceptibility slightly increases and forms a broad peak at T∼420 K, which is a typical feature of two-dimensional magnetic systems. Neutron diffraction measurements on single crystals confirm the previously reported C-type AFM structure below TN. Both de Haas-van Alphen (dHvA) and Shubnikov-de Haas (SdH) effects are observed in SrMnSb2 single crystals. Analysis of the oscillatory component by a Fourier transform shows ...


Competing Magnetic Phases And Itinerant Magnetic Frustration In Srco2 As2, Bing Li, Benjamin G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, David C. Johnston, Qing-Ping Ding, Yuji Furukawa, Peter P. Orth, Andreas Kreyssig, Alan I. Goldman, Robert J. Mcqueeney Oct 2019

Competing Magnetic Phases And Itinerant Magnetic Frustration In Srco2 As2, Bing Li, Benjamin G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, David C. Johnston, Qing-Ping Ding, Yuji Furukawa, Peter P. Orth, Andreas Kreyssig, Alan I. Goldman, Robert J. Mcqueeney

A. I. Goldman

Whereas magnetic frustration is typically associated with local-moment magnets in special geometric arrangements, here we show that SrCo2As2 is a candidate for frustrated itinerant magnetism. Using inelastic neutron scattering (INS), we find that antiferromagnetic (AF) spin fluctuations develop in the square Co layers of SrCo2As2 below T approximate to 100 K centered at the stripe-type AF propagation vector of (1/2, 1/2), and that their development is concomitant with a suppression of the uniform magnetic susceptibility determined via magnetization measurements. We interpret this switch in spectral weight as signaling a temperature-induced crossover from an instability toward ferromagnetism ordering to ...


Competing Magnetic Phases And Itinerant Magnetic Frustration In Srco2 As2, Bing Li, Benjamin G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, David C. Johnston, Qing-Ping Ding, Yuji Furukawa, Peter P. Orth, Andreas Kreyssig, Alan I. Goldman, Robert J. Mcqueeney Oct 2019

Competing Magnetic Phases And Itinerant Magnetic Frustration In Srco2 As2, Bing Li, Benjamin G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, David C. Johnston, Qing-Ping Ding, Yuji Furukawa, Peter P. Orth, Andreas Kreyssig, Alan I. Goldman, Robert J. Mcqueeney

Peter P. Orth

Whereas magnetic frustration is typically associated with local-moment magnets in special geometric arrangements, here we show that SrCo2As2 is a candidate for frustrated itinerant magnetism. Using inelastic neutron scattering (INS), we find that antiferromagnetic (AF) spin fluctuations develop in the square Co layers of SrCo2As2 below T approximate to 100 K centered at the stripe-type AF propagation vector of (1/2, 1/2), and that their development is concomitant with a suppression of the uniform magnetic susceptibility determined via magnetization measurements. We interpret this switch in spectral weight as signaling a temperature-induced crossover from an instability toward ferromagnetism ordering to ...


Skyrmions And Spirals In Mnsi Under Hydrostatic Pressure, L. J. Bannenberg, R. Sadykov, R. M. Dalgliesh, C. Goodway, Deborah L. Schlagel, Thomas A. Lograsso, P. Falus, E. Lelièvre-Berna, A. O. Leonov, C. Pappas Oct 2019

Skyrmions And Spirals In Mnsi Under Hydrostatic Pressure, L. J. Bannenberg, R. Sadykov, R. M. Dalgliesh, C. Goodway, Deborah L. Schlagel, Thomas A. Lograsso, P. Falus, E. Lelièvre-Berna, A. O. Leonov, C. Pappas

Thomas A. Lograsso

The archetype cubic chiral magnet MnSi is home to some of the most fascinating states in condensed matter, such as skyrmions and a non-Fermi-liquid behavior in conjunction with a topological Hall effect under hydrostatic pressure. Using small angle neutron scattering, we study the evolution of the helimagnetic, conical, and skyrmionic correlations with increasing hydrostatic pressure. We show that the helical propagation vector smoothly reorients from ⟨111⟩ to ⟨100⟩ at intermediate pressures. At higher pressures, above the critical pressure, the long-range helimagnetic order disappears at zero magnetic field. Nevertheless, skyrmion lattices and conical spirals form under magnetic fields, in a part ...


Skyrmions And Spirals In Mnsi Under Hydrostatic Pressure, L. J. Bannenberg, R. Sadykov, R. M. Dalgliesh, C. Goodway, Deborah L. Schlagel, Thomas A. Lograsso, P. Falus, E. Lelièvre-Berna, A. O. Leonov, C. Pappas Oct 2019

Skyrmions And Spirals In Mnsi Under Hydrostatic Pressure, L. J. Bannenberg, R. Sadykov, R. M. Dalgliesh, C. Goodway, Deborah L. Schlagel, Thomas A. Lograsso, P. Falus, E. Lelièvre-Berna, A. O. Leonov, C. Pappas

Deborah L. Schlagel

The archetype cubic chiral magnet MnSi is home to some of the most fascinating states in condensed matter, such as skyrmions and a non-Fermi-liquid behavior in conjunction with a topological Hall effect under hydrostatic pressure. Using small angle neutron scattering, we study the evolution of the helimagnetic, conical, and skyrmionic correlations with increasing hydrostatic pressure. We show that the helical propagation vector smoothly reorients from ⟨111⟩ to ⟨100⟩ at intermediate pressures. At higher pressures, above the critical pressure, the long-range helimagnetic order disappears at zero magnetic field. Nevertheless, skyrmion lattices and conical spirals form under magnetic fields, in a part ...


Distinct Pressure Evolution Of Coupled Nematic And Magnetic Orders In Fese, Anna E. Böhmer, Karunakar Kothapalli, Wageesha T. Jayasekara, John M. Wilde, Bing Li, Aashish Sapkota, Benjamin G. Ueland, Pinaki Das, Yumin Xiao, Wenli Bi, Jiyong Zhao, E. Ercan Alp, Sergey L. Bud’Ko, Paul C. Canfield, Alan I. Goldman, Andreas Kreyssig Oct 2019

Distinct Pressure Evolution Of Coupled Nematic And Magnetic Orders In Fese, Anna E. Böhmer, Karunakar Kothapalli, Wageesha T. Jayasekara, John M. Wilde, Bing Li, Aashish Sapkota, Benjamin G. Ueland, Pinaki Das, Yumin Xiao, Wenli Bi, Jiyong Zhao, E. Ercan Alp, Sergey L. Bud’Ko, Paul C. Canfield, Alan I. Goldman, Andreas Kreyssig

Paul C. Canfield

We present a microscopic study of nematicity and magnetism in FeSe over a wide temperature and pressure range using high-energy x-ray diffraction and time-domain Mössbauer spectroscopy. The low-temperature magnetic hyperfine field increases monotonically up to ∼ 6 GPa. The orthorhombic distortion initially decreases under increasing pressure but is stabilized at intermediate pressures by cooperative coupling to the pressure-induced magnetic order. Close to the reported maximum of the superconducting critical temperature at p = 6.8 GPa , the orthorhombic distortion suddenly disappears and a new tetragonal magnetic phase occurs. The pressure and temperature evolution of the structural and magnetic order parameters suggests that ...


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 Oct 2019

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

Paul C. Canfield

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.


Effect Of Ni Doping On Vortex Pinning In Cak (Fe1−X Nix)4as4 Single Crystals, N. Haberkorn, Mingyu Xu, William R. Meier, J. Schmidt, Sergey L. Bud’Ko, Paul C. Canfield Oct 2019

Effect Of Ni Doping On Vortex Pinning In Cak (Fe1−X Nix)4as4 Single Crystals, N. Haberkorn, Mingyu Xu, William R. Meier, J. Schmidt, Sergey L. Bud’Ko, Paul C. Canfield

Paul C. Canfield

We study the correlation between chemical composition and vortex dynamics in Ni-doped CaK(Fe1−xNix)4As4 (x=0, 0.015, 0.025, 0.03, and 0.05) single crystals by performing measurements of the critical current densities Jc and the flux creep rates S. The magnetic relaxation of all the crystals is well described by the collective creep theory. The samples display a glassy exponent μ within the predictions for vortex bundles in a weak pinning scenario and relatively small characteristic pinning energy (U0<100K). The undoped crystals display modest Jc values at low temperatures and high magnetic fields applied along the c axis. Jc(T) dependences at high fields display an unusual peak. The enhancement in Jc(T) matches with an increase in U0 and the appearance of a second peak in the magnetization. As Ni doping increases, whereas there is a monotonic decrease in Tc there is a nonmonotonic change in Jc. Initially Jc increases, reaching a maximum value for x=0.015, and then Jc decreases for x≥0.025. This change in Jc(x) is coincident with the onset of antiferromagnetic order. The magnetic field dependence of Jc(H) also manifests a change in behavior between these x values. The analysis of the vortex dynamics for small and intermediate magnetic fields shows a gradual evolution in the glassy exponent μ with Ni content, x. This implies that there is no appreciable change in the mechanism that determines the vortex relaxation.


Uncompensated Polarization In Incommensurate Modulations Of Perovskite Antiferroelectrics, Tao Ma, Zhongming Fan, Bin Xu, Tae-Hoon Kim, Ping Lu, Laurent Bellaiche, Matthew J. Kramer, Xiaoli Tan, Lin Zhou Sep 2019

Uncompensated Polarization In Incommensurate Modulations Of Perovskite Antiferroelectrics, Tao Ma, Zhongming Fan, Bin Xu, Tae-Hoon Kim, Ping Lu, Laurent Bellaiche, Matthew J. Kramer, Xiaoli Tan, Lin Zhou

Xiaoli Tan

Complex polar structures of incommensurate modulations (ICMs) are revealed in chemically modified PbZrO3 perovskite antiferroelectrics using advanced transmission electron microscopy techniques. The Pb-cation displacements, previously assumed to arrange in a fully-compensated antiparallel fashion, are found to be either antiparallel but with different magnitudes, or in a nearly orthogonal arrangement in adjacent stripes in the ICMs. Ab initio calculations corroborate the low-energy state of these arrangements. Our discovery corrects the atomic understanding of ICMs in PbZrO3-based perovskite antiferroelectrics.


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 Aug 2019

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 Aug 2019

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 ...


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 Aug 2019

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 Aug 2019

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 ...


Tuning Phase-Stability And Short-Range Order Through Ai-Doping In (Cocrfemn)100-Xaix High Entropy Alloys, Prashant Singh, Amalraj Marshal, Andrei V. Smirnov, Aayush Sharma, Ganesh Balasubramanian, K. G. Pradeep, Duane D. Johnson Aug 2019

Tuning Phase-Stability And Short-Range Order Through Ai-Doping In (Cocrfemn)100-Xaix High Entropy Alloys, Prashant Singh, Amalraj Marshal, Andrei V. Smirnov, Aayush Sharma, Ganesh Balasubramanian, K. G. Pradeep, Duane D. Johnson

Ganesh Balasubramanian

For (CoCrFeMn)100−xAlx high-entropy alloys, we investigate the phase evolution with increasing Al content (0≤x≤20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of (CoCrFeMn)100−xAlx alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the ...


Dependence Of The Absolute Value Of The Penetration Depth In (Ba1–X Kx) Fe2 As2 On Doping, Avior Almoalem, Alon Yagil, Kyuil Cho, Serafim Teknowijoyo, Makariy A. Tanatar, Ruslan Prozorov, Yong Liu, Thomas A. Lograsso, Ophir M. Auslaender Aug 2019

Dependence Of The Absolute Value Of The Penetration Depth In (Ba1–X Kx) Fe2 As2 On Doping, Avior Almoalem, Alon Yagil, Kyuil Cho, Serafim Teknowijoyo, Makariy A. Tanatar, Ruslan Prozorov, Yong Liu, Thomas A. Lograsso, Ophir M. Auslaender

Thomas A. Lograsso

We report magnetic force microscopy (MFM) measurements on the iron-based superconductor Ba1−xKxFe2As2. By measuring locally the Meissner repulsion with the magnetic MFM tip, we determine the absolute value of the in-plane magnetic penetration depth (λab) in underdoped, optimally doped, and overdoped samples. The results suggest an abrupt increase of λab as doping is increased from xopt, which is potentially related to the presence of a quantum critical point. The response of superconducting vortices to magnetic forces exerted by the MFM tip for x=0.19 and 0.58 is compatible with previously observed structural symmetries at those doping levels.


Non-Fermi-Liquid Behaviors Associated With A Magnetic Quantum-Critical Point In Sr(Co{1-X}Ni{X})2as2 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 Jul 2019

Non-Fermi-Liquid Behaviors Associated With A Magnetic Quantum-Critical Point In Sr(Co{1-X}Ni{X})2as2 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

Duane D. Johnson

Electron-doped Sr(Co{1-x}Ni{x})2As2 single crystals with compositions x = 0 to 0.9 were grown out of self-flux and SrNi2As2 single crystals out of Bi flux. The crystals were characterized using single-crystal x-ray diffraction (XRD), magnetic susceptibility chi(H,T), isothermal magnetization M(H,T), heat capacity Cp(H,T), and electrical resistivity ho(H,T) measurements versus applied magnetic field H and temperature T. The chi(T) data show that the crystals exhibit an antiferromagnetic (AFM) ground state almost immediately upon Ni doping on the Co site. Ab-initio electronic-structure calculations for x = 0 and x = 0 ...


Single Pair Of Weyl Fermions In The Half-Metallic Semimetal Eucd2as2, Lin-Lin Wang, Na Hyun Jo, Brinda Kuthanazhi, Yun Wu, Robert J. Mcqueeney, Adam Kaminski, Paul C. Canfield Jul 2019

Single Pair Of Weyl Fermions In The Half-Metallic Semimetal Eucd2as2, Lin-Lin Wang, Na Hyun Jo, Brinda Kuthanazhi, Yun Wu, Robert J. Mcqueeney, Adam Kaminski, Paul C. Canfield

Paul C. Canfield

Materials with the ideal case of a single pair of Weyl points (WPs) are highly desirable for elucidating the unique properties of Weyl fermions. EuC d 2 A s 2 is an antiferromagnetic topological insulator or Dirac semimetal depending on the different magnetic configurations. Using first-principles band-structure calculations, we show that inducing ferromagnetism in EuC d 2 A s 2 can generate a single pair of WPs from splitting the single pair of antiferromagnetic Dirac points due to its half-metallic nature. Analysis with a low-energy effective Hamiltonian shows that a single pair of WPs is obtained in EuC d 2 ...


Electronic Structure Of The Topological Superconductor Candidate Au2pb, Yun Wu, Gil Drachuck, Lin-Lin Wang, Duane D. Johnson, Przemyslaw Swatek, Benjamin Schrunk, Daixiang Mou, Lunan Huang, Sergey L. Bud’Ko, Paul C. Canfield, Adam Kaminski Jul 2019

Electronic Structure Of The Topological Superconductor Candidate Au2pb, Yun Wu, Gil Drachuck, Lin-Lin Wang, Duane D. Johnson, Przemyslaw Swatek, Benjamin Schrunk, Daixiang Mou, Lunan Huang, Sergey L. Bud’Ko, Paul C. Canfield, Adam Kaminski

Duane D. Johnson

We use magnetization measurements, high-resolution angle-resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations to study the electronic properties of Au2Pb, a topological superconductor candidate. The magnetization measurements reveal three discontinuities at 40, 51, and 99 K that agree well with reported structural phase transitions. To measure the band structure along desired crystal orientations, we utilized polishing, sputtering, and annealing to obtain clean flat sample surfaces. ARPES measurements of the Au2Pb (111) surface at 110 K shows a shallow hole pocket at the center and flower-petal-like surface states at the corners of the Brillouin zone. These observations match the ...


Electronic Structure Of The Topological Superconductor Candidate Au2pb, Yun Wu, Gil Drachuck, Lin-Lin Wang, Duane D. Johnson, Przemyslaw Swatek, Benjamin Schrunk, Daixiang Mou, Lunan Huang, Sergey L. Bud’Ko, Paul C. Canfield, Adam Kaminski Jul 2019

Electronic Structure Of The Topological Superconductor Candidate Au2pb, Yun Wu, Gil Drachuck, Lin-Lin Wang, Duane D. Johnson, Przemyslaw Swatek, Benjamin Schrunk, Daixiang Mou, Lunan Huang, Sergey L. Bud’Ko, Paul C. Canfield, Adam Kaminski

Paul C. Canfield

We use magnetization measurements, high-resolution angle-resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations to study the electronic properties of Au2Pb, a topological superconductor candidate. The magnetization measurements reveal three discontinuities at 40, 51, and 99 K that agree well with reported structural phase transitions. To measure the band structure along desired crystal orientations, we utilized polishing, sputtering, and annealing to obtain clean flat sample surfaces. ARPES measurements of the Au2Pb (111) surface at 110 K shows a shallow hole pocket at the center and flower-petal-like surface states at the corners of the Brillouin zone. These observations match the ...


High-Tc Superconductivity In Cakfe4 As4 In Absence Of Nematic Fluctuations, W.-L. Zhang, William R. Meier, Tai Kong, Paul C. Canfield, G. Blumberg Jul 2019

High-Tc Superconductivity In Cakfe4 As4 In Absence Of Nematic Fluctuations, W.-L. Zhang, William R. Meier, Tai Kong, Paul C. Canfield, G. Blumberg

Paul C. Canfield

We employ polarization-resolved Raman spectroscopy to study the multiband stoichiometric Tc = 35 K superconductor CaKFe4As4. We do not detect Pomeranchuk-like electronic nematic fluctuations which were universally observed in the XY (B2g) symmetry Raman response for most families of the Fe-based superconductors. In the superconducting state we observe, consistent with a nodeless order parameter, a full spectral weight suppression at low energies and the emergence of a composite pair-breaking coherence feature at energies between 12 and 20 meV. We analyze the superconductivity-induced phonon self-energy effects and give an estimation for the electron-phonon coupling constant λΓ=0.0015 which is insufficient ...


Ultrahigh Elastically Compressible And Strain-Engineerable Intermetallic Compounds Under Uniaxial Mechanical Loading, Gyuho Song, Vladislav Borisov, William Meier, Mingyu Xu, Keith J. Dusoe, John T. Sypek, Roser Valentí, Paul C. Canfield, Seok-Woo Lee Jul 2019

Ultrahigh Elastically Compressible And Strain-Engineerable Intermetallic Compounds Under Uniaxial Mechanical Loading, Gyuho Song, Vladislav Borisov, William Meier, Mingyu Xu, Keith J. Dusoe, John T. Sypek, Roser Valentí, Paul C. Canfield, Seok-Woo Lee

Paul C. Canfield

Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use. Therefore, it is critical for them to exhibit either plasticity or some form of structural transition to absorb and release a sufficient amount of mechanical energy before failure occurs. This study reports that the ThCr2Si2-structured intermetallic compound (CaFe2As2) and a hybrid of its structure (CaKFe4As4) with 2 µm in diameter and 6 µm in height can exhibit superelasticity with strain up to 17% through a reversible, deformation-induced ...


Lack Of Superconductivity In The Phase Diagram Of Single-Crystalline Eu(Fe1-Xcox)(2)As-2 Grown By Transition Metal Arsenide Flux, Gang Wang, William R. Meier, Warren E. Straszheim, Joshua Slagle, Sergey L. Bud’Ko, Paul C. Canfield Jul 2019

Lack Of Superconductivity In The Phase Diagram Of Single-Crystalline Eu(Fe1-Xcox)(2)As-2 Grown By Transition Metal Arsenide Flux, Gang Wang, William R. Meier, Warren E. Straszheim, Joshua Slagle, Sergey L. Bud’Ko, Paul C. Canfield

Paul C. Canfield

The interplay of magnetism and superconductivity (SC) has been a focus of interest in condensed matter physics for decades. EuF e 2 A s 2 has been identified as a potential platform to investigate interactions between structural, magnetic, and electronic effects as well as the coexistence of magnetism and SC with similar transition temperatures. However, there are obvious inconsistencies in the reported phase diagrams of Eu ( F e 1 − x C o x ) 2 A s 2 crystals grown by different methods. For transition metal arsenide (TMA)-flux-grown crystals, even the existence of SC is uncertain. Here we reexamine the ...


Tuning Phase-Stability And Short-Range Order Through Ai-Doping In (Cocrfemn)100-Xaix High Entropy Alloys, Prashant Singh, Amalraj Marshal, Andrei V. Smirnov, Aayush Sharma, Ganesh Balasubramanian, K. G. Pradeep, Duane D. Johnson Jul 2019

Tuning Phase-Stability And Short-Range Order Through Ai-Doping In (Cocrfemn)100-Xaix High Entropy Alloys, Prashant Singh, Amalraj Marshal, Andrei V. Smirnov, Aayush Sharma, Ganesh Balasubramanian, K. G. Pradeep, Duane D. Johnson

Duane D. Johnson

For (CoCrFeMn)100−xAlx high-entropy alloys, we investigate the phase evolution with increasing Al content (0≤x≤20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of (CoCrFeMn)100−xAlx alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the ...


Enhanced Thermoelectric Performance Of Mg2 Si1−X Snx Codoped With Bi And Cr, Vikram, Duane D. Johnson, Aftab Alam Jul 2019

Enhanced Thermoelectric Performance Of Mg2 Si1−X Snx Codoped With Bi And Cr, Vikram, Duane D. Johnson, Aftab Alam

Duane D. Johnson

Magnesium silicides are favorable thermoelectric materials considering resource abundance and cost. Chromium (Cr) doping in magnesium silicides has not yet been explored. Using first-principles calculations, we have studied the stability of Mg2Si with chromium (1.85, 3.7, 5.55, and 6.25% Cr) and tin (12.5 and 50% Sn). Three Mg2Si compounds doped with Sn, (Sn + Bi), and (Sn + Bi + Cr) are used to explain doping effects on thermoelectric performance. Notably, Cr behaves nonmagnetically for ≤2%Cr, after which ferromagnetic ordering is favored (≤12.96% Cr), despite its elemental antiferromagnetic state. With alloying of Sn (70.4%), Mg2Si ...


Two-Dimensional Ordering And Collective Magnetic Excitations In The Dilute Ferromagnetic Topological Insulator (Bi0.95 Mn0.05)2 Te3, David Vaknin, Daniel M. Pajerowski, Deborah L. Schlagel, Kevin W. Dennis, Robert Mcqueeney Jul 2019

Two-Dimensional Ordering And Collective Magnetic Excitations In The Dilute Ferromagnetic Topological Insulator (Bi0.95 Mn0.05)2 Te3, David Vaknin, Daniel M. Pajerowski, Deborah L. Schlagel, Kevin W. Dennis, Robert Mcqueeney

Deborah L. Schlagel

Employing elastic and inelastic neutron scattering (INS) techniques, we report on the microscopic properties of the ferromagnetism in the dilute magnetic topological insulator (Bi0.95Mn0.05)2 Te3. Neutron diffraction of polycrystalline samples shows the ferromagnetic (FM) ordering is long range within the basal plane, and mainly two dimensional (2D) in character with short-range correlations between layers below T C ≈ 13 K. Remarkably, we observe gapped and collective magnetic excitations in this dilute magnetic system. The excitations appear typical of quasi-2D FM systems despite the severe broadening of short-wavelength magnons which is expected from the random spatial distribution of Mn ...