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Full-Text Articles in Physics

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 Oct 2018

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

Ames Laboratory Accepted Manuscripts

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 ...


Enhanced Thermoelectric Performance Of Mg2 Si1−X Snx Codoped With Bi And Cr, Vikram, Duane D. Johnson, Aftab Alam Sep 2018

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

Ames Laboratory Accepted Manuscripts

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 ...


Impact Ignition And Combustion Of Micron-Scale Aluminum Particles Pre-Stressed With Different Quenching Rates, Kevin J. Hill, Nobumichi Tamura, Valery I. Levitas, Michelle L. Pantoya Sep 2018

Impact Ignition And Combustion Of Micron-Scale Aluminum Particles Pre-Stressed With Different Quenching Rates, Kevin J. Hill, Nobumichi Tamura, Valery I. Levitas, Michelle L. Pantoya

Materials Science and Engineering Publications

Pre-stressing aluminum (Al) particles by annealing and quenching alters dilatational strain and is linked to increased particle reactivity. The quenching rate associated with pre-stressing is a key parameter affecting the final stress state within the Al particle, with faster quenching rates theoretically favoring a higher, more desirable stress state. Micron scale Al particles are annealed to 573 K, then quenched at different rates (i.e., 200 and 900 K/min), mixed with bismuth oxide (Bi2O3), and the Al + Bi2O3 mixtures are examined under low-velocity, drop-weight impact conditions. Both quenching rates showed increased impact ignition sensitivity (i.e., between 83% and ...


All-Solid-State Asymmetric Supercapacitor Based On Porous Cobalt Selenide Thin Films, Xincheng Zhang, Jiangfeng Gong, Kaixiao Zhang, Weihua Zhu, Jing-Chang Li, Qingping Ding Sep 2018

All-Solid-State Asymmetric Supercapacitor Based On Porous Cobalt Selenide Thin Films, Xincheng Zhang, Jiangfeng Gong, Kaixiao Zhang, Weihua Zhu, Jing-Chang Li, Qingping Ding

Ames Laboratory Accepted Manuscripts

As a significant semiconductor material, cobalt selenide has enormous potential and extensive application prospects in the field of solar cells, photocatalysis and supercapacitor. In this paper, porous CoSe thin films were successfully fabricated on stainless-steel sheet using a facile, effective electrodeposition technique. Electrochemical tests reveal that the specific capacitance reaches as high as 510 F g−1 at the current density of 1 A g−1 with the capacitance retention of 91% over 5000 cycles. An asymmetric all-solid-state supercapacitor is fabricated using CoSe thin film as the positive electrode and activate carbon as the negative electrode. The combined solid device ...


Disorder-Driven Transition From S(+/-) To S(+ +) Superconducting Order Parameter In Proton Irradiated Ba(Fe1-Xrhx)(2)As-2 Single Crystals, G. Ghigo, D. Torsello, G. A. Ummarino, L. Gozzelino, Makariy A. Tanatar, Ruslan Prozorov, Paul C. Canfield Sep 2018

Disorder-Driven Transition From S(+/-) To S(+ +) Superconducting Order Parameter In Proton Irradiated Ba(Fe1-Xrhx)(2)As-2 Single Crystals, G. Ghigo, D. Torsello, G. A. Ummarino, L. Gozzelino, Makariy A. Tanatar, Ruslan Prozorov, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

Microwave measurements of the London penetration depth and critical temperature T c were used to show evidence of a disordered-driven transition from s ± to s + + order parameter symmetry in optimally doped Ba ( Fe 1 − x Rh x ) 2 As 2 single crystals, where disorder was induced by means of 3.5 MeV proton irradiation. Signatures of such a transition, as theoretically predicted [V. D. Efremov et al., Phys. Rev. B 84, 180512(R) (2011)], are found as a drop in the low-temperature values of the London penetration depth and a virtually disorder-independent superconducting T c . We show how these experimental ...


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 2018

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

Ames Laboratory Accepted Manuscripts

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.


Finite-Size Effects In Metasurface Lasers Based On Resonant Dark States, Sotiris Droulias, Thomas Koschny, Costas M. Soukoulis Aug 2018

Finite-Size Effects In Metasurface Lasers Based On Resonant Dark States, Sotiris Droulias, Thomas Koschny, Costas M. Soukoulis

Ames Laboratory Accepted Manuscripts

The quest for subwavelength coherent light sources has recently led to the exploration of dark-mode based surface lasers, which allow for independent adjustment of the lasing state and its coherent radiation output. To understand how this unique design performs in real experiments, we need to consider systems of finite size and quantify finite-size effects not present in the infinite dark-mode surface laser model. Here we find that, depending on the size of the system, distinct and even counterintuitive behavior of the lasing state is possible, determined by a balanced competition between multiple loss channels, including dissipation, intentional out-coupling of coherent ...


Magnetic Properties Of Single Crystalline Itinerant Ferromagnet Alfe2b2, Tej Lamichhane, Li Xiang, Qisheng Lin, Tribhuwan Pandey, David S. Parker, Tae-Hoon Kim, Lin Zhou, Matthew J. Kramer, Sergey L. Bud’Ko, Paul C. Canfield Aug 2018

Magnetic Properties Of Single Crystalline Itinerant Ferromagnet Alfe2b2, Tej Lamichhane, Li Xiang, Qisheng Lin, Tribhuwan Pandey, David S. Parker, Tae-Hoon Kim, Lin Zhou, Matthew J. Kramer, Sergey L. Bud’Ko, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

Single crystals of AlFe2B2 have been grown using the self-flux growth method, and then we measured the structural properties, temperature- and field-dependent magnetization, and temperature-dependent electrical resistivity at ambient as well as high pressure. The Curie temperature of AlFe2B2 is determined to be 274 K. The measured saturation magnetization and the effective moment for the paramagnetic Fe ion indicate the itinerant nature of the magnetism with a Rhode-Wohlfarth ratio MCMsat≈1.14. Temperature-dependent resistivity measurements under hydrostatic pressure show that transition temperature TC is suppressed down to 255 K for p=2.24 GPa pressure with a suppression rate of ...


A Review Of Equation-Of-State Models For Inertial Confinement Fusion Materials, J. A. Gaffney, Duane D. Johnson, Andrey Smirnov, Et Al. Aug 2018

A Review Of Equation-Of-State Models For Inertial Confinement Fusion Materials, J. A. Gaffney, Duane D. Johnson, Andrey Smirnov, Et Al.

Ames Laboratory Accepted Manuscripts

Material equation-of-state (EOS) models, generally providing the pressure and internal energy for a given density and temperature, are required to close the equations of hydrodynamics. As a result they are an essential piece of physics used to simulate inertial confinement fusion (ICF) implosions. Historically, EOS models based on different physical/chemical pictures of matter have been developed for ICF relevant materials such as the deuterium (D2) or deuterium-tritium (DT) fuel, as well as candidate ablator materials such as polystyrene (CH), glow-discharge polymer (GDP), beryllium (Be), carbon (C), and boron carbide (B4C). The accuracy of these EOS models can directly affect ...


Structures And Magnetic Properties Of Iron Silicide From Adaptive Genetic Algorithm And First-Principles Calculations, Zejin Yang, Shunqing Wu, Xin Zhao, Manh Cuong Nguyen, Shu Yu, Tongqi Wen, Ling Tang, Fuxiang Li, Kai-Ming Ho, Cai-Zhuang Wang Aug 2018

Structures And Magnetic Properties Of Iron Silicide From Adaptive Genetic Algorithm And First-Principles Calculations, Zejin Yang, Shunqing Wu, Xin Zhao, Manh Cuong Nguyen, Shu Yu, Tongqi Wen, Ling Tang, Fuxiang Li, Kai-Ming Ho, Cai-Zhuang Wang

Ames Laboratory Accepted Manuscripts

We performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies within 50 meV/atom (11 of them are within 20 meV) above the convex hull formed by experimentally known stable structures are predicted. Magnetic properties of these low-energy structures are investigated. Some of these structures can be promising candidates for rare-earth-free permanent magnet.


Trends In Pressure-Induced Layer-Selective Half-Collapsed Tetragonal Phases In The Iron-Based Superconductor Family Aeafe(4)As(4), Vladislav Borisov, Paul C. Canfield, Roser Valentí Aug 2018

Trends In Pressure-Induced Layer-Selective Half-Collapsed Tetragonal Phases In The Iron-Based Superconductor Family Aeafe(4)As(4), Vladislav Borisov, Paul C. Canfield, Roser Valentí

Ames Laboratory Accepted Manuscripts

By performing pressure simulations within density functional theory for the family of iron-based superconductors AeAFe4As4 with Ae=Ca, Sr, Ba and A=K, Rb, Cs we predict in these systems the appearance of two consecutive half-collapsed tetragonal transitions at pressures Pc1 and Pc2, which have a different character in terms of their effect on the electronic structure. We find that, similar to previous studies for CaKFe4As4, spin-vortex magnetic fluctuations on the Fe sublattice play a key role for an accurate structure prediction in these materials at zero pressure. We identify clear trends of critical pressures and discuss the relevance of ...


Emergent Magnetic Degeneracy In Iron Pnictides Due To The Interplay Between Spin-Orbit Coupling And Quantum Fluctuations, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes Jul 2018

Emergent Magnetic Degeneracy In Iron Pnictides Due To The Interplay Between Spin-Orbit Coupling And Quantum Fluctuations, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes

Physics and Astronomy Publications

Recent experiments in iron pnictide superconductors reveal that, as the putative magnetic quantum critical point is approached, different types of magnetic order coexist over a narrow region of the phase diagram. Although these magnetic configurations share the same wave vectors, they break distinct symmetries of the lattice. Importantly, the highest superconducting transition temperature takes place close to this proliferation of near-degenerate magnetic states. In this Letter, we employ a renormalization group calculation to show that such a behavior naturally arises due to the effects of spin-orbit coupling on the quantum magnetic fluctuations. Formally, the enhanced magnetic degeneracy near the quantum ...


Persistent Correlation Between Superconductivity And Antiferromagnetic Fluctuations Near A Nematic Quantum Critical Point In Fese1−Xsx, P. Wiecki, Khusboo Rana, A. E. Böhmer, Y. Lee, Sergey L. Bud’Ko, Paul C. Canfield, Yuji Furukawa Jul 2018

Persistent Correlation Between Superconductivity And Antiferromagnetic Fluctuations Near A Nematic Quantum Critical Point In Fese1−Xsx, P. Wiecki, Khusboo Rana, A. E. Böhmer, Y. Lee, Sergey L. Bud’Ko, Paul C. Canfield, Yuji Furukawa

Ames Laboratory Accepted Manuscripts

We present 77Se-NMR measurements on FeSe1−xSx samples with sulfur content x=0%, 9%, 15%, and 29%. Twinned nematic domains are observed in the NMR spectrum for all samples except x=29%. The NMR spin-lattice relaxation rate shows that antiferromagnetic (AFM) fluctuations are initially enhanced between x=0% and x=9%, but are strongly suppressed for higher x values. The observed behavior of the AFM fluctuations parallels the superconducting transition temperature Tc in these materials, providing strong evidence for the primary importance of AFM fluctuations for superconductivity, despite the presence of nematic quantum criticality in the FeSe1−xSx system.


Effective Demagnetizing Factors Of Diamagnetic Samples Of Various Shapes, Ruslan Prozorov, Vladimir G. Kogan Jul 2018

Effective Demagnetizing Factors Of Diamagnetic Samples Of Various Shapes, Ruslan Prozorov, Vladimir G. Kogan

Ames Laboratory Accepted Manuscripts

Effective demagnetizing factors that connect the sample magnetic moment with the applied magnetic field are calculated numerically for perfectly diamagnetic samples of various nonellipsoidal shapes. The procedure is based on calculating the total magnetic moment by integrating the magnetic induction obtained from a full three-dimensional (3D) solution of the Maxwell equations using an adaptive mesh. The results are relevant for superconductors (and conductors in ac fields) when the London penetration depth (or the skin depth) is much smaller than the sample size. Simple but reasonably accurate approximate formulas are given for practical shapes including rectangular cuboids, finite cylinders in axial ...


Current Progress And Future Challenges In Rare-Earth-Free Permanent Magnets, Jun Cui, Matthew J. Kramer, Lin Zhou, Fei Liu, Alexander Gabay, George Hadjipanayis, Balamurugan Balasubramanian, David Sellmyer Jul 2018

Current Progress And Future Challenges In Rare-Earth-Free Permanent Magnets, Jun Cui, Matthew J. Kramer, Lin Zhou, Fei Liu, Alexander Gabay, George Hadjipanayis, Balamurugan Balasubramanian, David Sellmyer

Ames Laboratory Accepted Manuscripts

Permanent magnets (PM) are critical components for electric motors and power generators. Key properties of permanent magnets, especially coercivity and remanent magnetization, are strongly dependent on microstructure. Understanding metallurgical processing, phase stability and microstructural changes are essential for designing and improving permanent magnets. The widely used PM for the traction motor in electric vehicles and for the power generator in wind turbines contain rare earth elements Nd and Dy due to their high maximum energy product. Dy is used to sustain NdFeB's coercivity at higher temperature. Due to the high supply risk of rare earth elements (REE) such as ...


Potential Of Mean Force For Two Nanocrystals: Core Geometry And Size, Hydrocarbon Unsaturation, And Universality With Respect To The Force Field, Curt Waltmann, Nathan Horst, Alex Travesset Jul 2018

Potential Of Mean Force For Two Nanocrystals: Core Geometry And Size, Hydrocarbon Unsaturation, And Universality With Respect To The Force Field, Curt Waltmann, Nathan Horst, Alex Travesset

Ames Laboratory Accepted Manuscripts

We present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We analyze large cores (up to 10 nm in diameter) and ligands with unsaturated carbon bonds (oleic acid) and we investigate the accuracy of the computed potential of mean force by comparing different force fields. We also analyze the vortices that determine the bonding, including the case of asymmetric nanocrystals, and discuss effects related to the intrinsic anisotropy of the core. Overall our results are in agreement with the predictions of the recently proposed orbifold topological ...


Electronic Properties Of Rx2al20 (R =  La, Ce, Yb, Th, U; X  =  Ti, V, Cr And Mn) Cage Compounds, Przemysław Swatek, Maja Kleinert, Piotr Wiśniewski, Dariusz Kaczorowski Jul 2018

Electronic Properties Of Rx2al20 (R =  La, Ce, Yb, Th, U; X  =  Ti, V, Cr And Mn) Cage Compounds, Przemysław Swatek, Maja Kleinert, Piotr Wiśniewski, Dariusz Kaczorowski

Ames Laboratory Accepted Manuscripts

Here, non-spin-polarized electronic structures and Fermi surface properties of RX 2Al 20 (R = La, Ce, Yb, Th, U; X = Ti, V, Cr, Mn) intermetallic compounds were calculated using the full potential all-electron local orbital (FPLO) approach in the framework of the local density approximation (LDA). Trends of the magnetism are discussed in terms of the characteristics of X- 3d bands with a quantitative analysis of the relationship between band electron filling and crystal electric field splitting. Since coordination icosahedra of X-atoms have small trigonal distortion, crystal electric field splits the fivefold degenerate X- 3d state into low-energy singlet and ...


Vibrational Anomalies In Afe2as2 (A=Ca, Sr, And Ba) Single Crystals, C. C. Homes, Y. M. Dai, Ana Akrap, Sergey L. Bud’Ko, Paul C. Canfield Jul 2018

Vibrational Anomalies In Afe2as2 (A=Ca, Sr, And Ba) Single Crystals, C. C. Homes, Y. M. Dai, Ana Akrap, Sergey L. Bud’Ko, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

The detailed behavior of the in-plane infrared-active vibrational modes has been determined in AFe2As2 (A=Ca, Sr, and Ba) above and below the structural and magnetic transitions at TN=172, 195, and 138 K, respectively. Above TN, two infrared-active Eu modes are observed. In all three compounds, below TN, the low-frequency Eu mode is observed to split into upper and lower branches; with the exception of the Ba material, the oscillator strength across the transition is conserved. In the Ca and Sr materials, the high-frequency Eu mode splits into an upper and a lower branch; however, the oscillator strengths ...


A Self-Contained Algorithm For Determination Of Solid-Liquid Equilibria In An Alloy System, L. Yang, Y. Sun, Z. Ye, F. Zhang, M. I. Mendelev, Cai-Zhuang Wang, Kai-Ming Ho Jul 2018

A Self-Contained Algorithm For Determination Of Solid-Liquid Equilibria In An Alloy System, L. Yang, Y. Sun, Z. Ye, F. Zhang, M. I. Mendelev, Cai-Zhuang Wang, Kai-Ming Ho

Ames Laboratory Accepted Manuscripts

We describe a self-contained procedure to evaluate the free energy of liquid and solid phases of an alloy system. The free energy of a single-element solid phase is calculated with thermodynamic integration using the Einstein crystal as the reference system. Then, free energy difference between the solid and liquid phases is calculated by Gibbs-Duhem integration. The central part of our method is the construction of a reversible alchemical path connecting a pure liquid and a liquid alloy to calculate the mixing enthalpy and entropy. We have applied the method to calculate the free energy of solid and liquid phases in ...


Magnetic Phase Diagram Of The Iron Pnictides In The Presence Of Spin-Orbit Coupling: Frustration Between C2 And C4 Magnetic Phases, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes Jul 2018

Magnetic Phase Diagram Of The Iron Pnictides In The Presence Of Spin-Orbit Coupling: Frustration Between C2 And C4 Magnetic Phases, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes

Physics and Astronomy Publications

We investigate the impact of spin anisotropic interactions, promoted by spin-orbit coupling, on the magnetic phase diagram of the iron-based superconductors. Three distinct magnetic phases with Bragg peaks at (π,0) and (0,π) are possible in these systems: one C2 (i.e. orthorhombic) symmetric stripe magnetic phase and two C4 (i.e. tetragonal) symmetric magnetic phases. While the spin anisotropic interactions allow the magnetic moments to point in any direction in the C2 phase, they restrict the possible moment orientations in the C4 phases. As a result, an interesting scenario arises in which the spin anisotropic interactions favor a ...


Influence Of The Starting Temperature Of Calorimetric Measurements On The Accuracy Of Determined Magnetocaloric Effect, L. M. Moreno-Ramírez, V. Franco, A. Conde, H. Neves Bez, Yaroslav Mudryk, Vitalij K. Pecharsky Jul 2018

Influence Of The Starting Temperature Of Calorimetric Measurements On The Accuracy Of Determined Magnetocaloric Effect, L. M. Moreno-Ramírez, V. Franco, A. Conde, H. Neves Bez, Yaroslav Mudryk, Vitalij K. Pecharsky

Ames Laboratory Accepted Manuscripts

Availability of a restricted heat capacity data range has a clear influence on the accuracy of calculated magnetocaloric effect, as confirmed by both numerical simulations and experimental measurements. Simulations using the Bean-Rodbell model show that, in general, the approximated magnetocaloric effect curves calculated using a linear extrapolation of the data starting from a selected temperature point down to zero kelvin deviate in a non-monotonic way from those correctly calculated by fully integrating the data from near zero temperatures. However, we discovered that a particular temperature range exists where the approximated magnetocaloric calculation provides the same result as the fully integrated ...


Two-Dimensional Crystallization Of Poly(N-Isopropylacrylamide)-Capped Gold Nanoparticles, Wenjie Wang, Jack J. Lawrence, Wei Bu, Honghu Zhang, David Vaknin Jun 2018

Two-Dimensional Crystallization Of Poly(N-Isopropylacrylamide)-Capped Gold Nanoparticles, Wenjie Wang, Jack J. Lawrence, Wei Bu, Honghu Zhang, David Vaknin

Ames Laboratory Accepted Manuscripts

Surface-sensitive X-ray reflectivity and grazing incidence small-angle X-ray scattering reveal the structure of polymer-capped-gold nanoparticles (AuNPs that are grafted with poly(N-isopropylacrylamide); PNIPAM–AuNPs) as they self-assemble and crystallize at the aqueous suspension/vapor interface. Citrate-stabilized AuNPs (5 and 10 nm in nominal diameter) are ligand-exchanged by 6 kDa PNIPAM-thiol to form corona brushes around the AuNPs that are highly stable and dispersed in aqueous suspensions. Surprisingly, no clear evidence of thermosensitive effect on surface enrichment or self-assembly of the PNIPAM–AuNPs is observed in the 10–35 °C temperature range. However, addition of simple salts (in this case ...


Magnetoresistance In Lubi And Ybi Semimetals Due To Nearly Perfect Carrier Compensation, Orest Pavlosiuk, Przemyslaw Swatek, Dariusz Kaczorowski, Piotr Wiśniewski Jun 2018

Magnetoresistance In Lubi And Ybi Semimetals Due To Nearly Perfect Carrier Compensation, Orest Pavlosiuk, Przemyslaw Swatek, Dariusz Kaczorowski, Piotr Wiśniewski

Ames Laboratory Accepted Manuscripts

Monobismuthides of lutetium and yttrium are shown as representatives of materials which exhibit extreme magnetoresistance and magnetic-field-induced resistivity plateaus. At low temperatures and in magnetic fields of 9 T, the magnetoresistance attains orders of magnitude of 104% and 103%, on YBi and LuBi, respectively. Our thorough examination of electron-transport properties of both compounds shows that observed features are the consequence of nearly perfect carrier compensation rather than of possible nontrivial topology of electronic states. The field-induced plateau of electrical resistivity can be explained with Kohler scaling. An anisotropic multiband model of electronic transport describes very well the magnetic field dependence ...


First-Principles Study Of Electronic Structure And Fermi Surface In Semimetallic Yas, Przemyslaw Swatek Jun 2018

First-Principles Study Of Electronic Structure And Fermi Surface In Semimetallic Yas, Przemyslaw Swatek

Ames Laboratory Accepted Manuscripts

In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP-LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y-d orbital into low-energy threefold-degenerate t(2g) and twofold degenerate doublet e(1g) states at Gamma point around the Fermi energy. One of them, together with the threefold degenerate t(1u) character of As-p orbital, render the YAs semimetal with ...


Controlling Optical Polarization Conversion With Ge2sb2te5-Based Phase-Change Dielectric Metamaterials, Wei Zhu, Ruisheng Yang, Yuancheng Fan, Quanhong Fu, Hongjing Wu, Peng Zhang, Nian-Hai Shen, Fuli Zhang May 2018

Controlling Optical Polarization Conversion With Ge2sb2te5-Based Phase-Change Dielectric Metamaterials, Wei Zhu, Ruisheng Yang, Yuancheng Fan, Quanhong Fu, Hongjing Wu, Peng Zhang, Nian-Hai Shen, Fuli Zhang

Ames Laboratory Accepted Manuscripts

Recent progress in the metamaterial-based polarization manipulation of light highlights the promise of novel polarization-dependent optical components and systems. To overcome the limited frequency bandwidth of metamaterials resulting from their resonant nature, it is desirable to incorporate tunability into metamaterial-based polarization manipulations. Here, we propose a dielectric metamaterial for controlling linear polarization conversion using the phase-change characteristic of Ge2Sb2Te5 (GST), whose refractive index changes significantly when transforming from the amorphous phase to the crystalline phase under external stimuli. The polarization conversion phenomena are systematically studied using different arrangements of GST in this metamaterial. The performance of linear polarization conversion and ...


Anisotropic Magnetocaloric Response In Alfe2b2, R. Barua, B. T. Lejeune, Liqin Ke, G. Hadjipanayis, Eugene M. Levin, Mccallum Consulting Llc, Matthew J. Kramer, L. H. Lewis May 2018

Anisotropic Magnetocaloric Response In Alfe2b2, R. Barua, B. T. Lejeune, Liqin Ke, G. Hadjipanayis, Eugene M. Levin, Mccallum Consulting Llc, Matthew J. Kramer, L. H. Lewis

Ames Laboratory Accepted Manuscripts

Experimental investigations of the magnetocaloric response of the intermetallic layered AlFe2B2 compound along the principle axes of the orthorhombic cell were carried out using aligned plate-like crystallites with an anisotropic [101] growth habit. Results were confirmed to be consistent with density functional theory calculations. Field-dependent magnetization data confirm that the a-axis is the easy direction of magnetization within the (ac) plane. The magnetocrystalline anisotropy energy required to rotate the spin quantization vector from the c-to the a-axis direction is determined as K∼0.9 MJ/m3 at 50 K. Magnetic entropy change curves measured near the Curie transition temperature of ...


Local Structure Orders And Glass Forming Ability Of Ni-Nb Liquids, T. Q. Wen, Y. Zhang, Cai-Zhuang Wang, N. Wang, Kai-Ming Ho, Matthew J. Kramer May 2018

Local Structure Orders And Glass Forming Ability Of Ni-Nb Liquids, T. Q. Wen, Y. Zhang, Cai-Zhuang Wang, N. Wang, Kai-Ming Ho, Matthew J. Kramer

Ames Laboratory Accepted Manuscripts

Ab initio molecular dynamics simulations were performed to study the atomistic structures of Ni48Nb52, Ni59.5Nb40.5 and Ni75Nb25 liquids near their melting temperatures. It is found that the total coordination number only changes slightly across the compositions. However, there is significant difference in the chemical ordering. The Cluster Alignment method was used to identify the dominant local structure motifs. It is found that distorted and perfect icosahedral clusters are the most popular motifs around Ni atoms, while Z14, Z15, and Z16 Frank-Kasper polyhedra are dominant around Nb atoms. Among the three compositions, the eutectic composition (Ni59.5Nb40.5) has ...


Nmr Studies Of The Helical Antiferromagnetic Compound Euco2p2, N. Higa, Qing-Ping Ding, F. Kubota, H. Uehara, M. Yogi, Yuji Furukawa, N. S. Sangeetha, David C. Johnston, A. Nakamura, M. Hedo, T. Nakama, Y. Onuki May 2018

Nmr Studies Of The Helical Antiferromagnetic Compound Euco2p2, N. Higa, Qing-Ping Ding, F. Kubota, H. Uehara, M. Yogi, Yuji Furukawa, N. S. Sangeetha, David C. Johnston, A. Nakamura, M. Hedo, T. Nakama, Y. Onuki

Ames Laboratory Accepted Manuscripts

In EuCo2P2, 4f electron spins of Eu2+ ions order antiferromagnetically below a Néel temperature . The magnetic structure below was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo2P2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicate homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed ...


Using First-Principles Calculations To Screen For Fragile Magnetism: Case Study Of Lacrge 3 And Lacrsb 3, Manh Cuong Nguyen, Valentin Taufour, Sergey L. Bud’Ko, Paul C. Canfield, Vladimir P. Antropov, Cai-Zhuang Wang, Kai-Ming Ho May 2018

Using First-Principles Calculations To Screen For Fragile Magnetism: Case Study Of Lacrge 3 And Lacrsb 3, Manh Cuong Nguyen, Valentin Taufour, Sergey L. Bud’Ko, Paul C. Canfield, Vladimir P. Antropov, Cai-Zhuang Wang, Kai-Ming Ho

Ames Laboratory Accepted Manuscripts

In this paper, we present a coupled experimental/theoretical investigation of pressure effect on the ferromagnetism of LaCrGe3 and LaCrSb3 compounds. The magnetic, electronic, elastic, and mechanical properties of LaCrGe3 and LaCrSb3 at ambient condition are studied by first-principles density-functional theory calculations. The pressure dependences of the magnetic properties of LaCrGe3 and LaCrSb3 are also investigated. The ferromagnetism in LaCrGe3 is rather fragile, with a ferro- to paramagnetic transition at a relatively small pressure (around 7 GPa from our calculations, and 2 GPa in experiments). The key parameter controlling the magnetic properties of LaCrGe3 is found to be the proximity ...


Synthesis And Characterization Of Ca-Doped Lamnaso, Yong Liu, Warren E. Straszheim, Pinaki Das, Farhan Islam, Thomas W. Heitmann, Robert Mcqueeney, David Vaknin May 2018

Synthesis And Characterization Of Ca-Doped Lamnaso, Yong Liu, Warren E. Straszheim, Pinaki Das, Farhan Islam, Thomas W. Heitmann, Robert Mcqueeney, David Vaknin

Ames Laboratory Accepted Manuscripts

We report on our attempt to hole-dope the antiferromagnetic semiconductor LaMnAsO by substitution of the La3+ site by Ca2+. We use neutron and x-ray diffraction, magnetic susceptibility, and transport techniques to characterize polycrystalline (La1−xCax)MnAsO samples prepared by solid-state reaction and find that the parent compound is highly resistant to substitution with an upper limit x≤0.01. Magnetic susceptibility of the parent and the x=0.002(xnom=0.04) compounds indicate a negligible presence of magnetic impurities (i.e., MnO or MnAs). Rietveld analysis of neutron and x-ray diffraction data shows the preservation of both the tetragonal ...