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Articles 1 - 30 of 446

Full-Text Articles in Physics

Probing The Direct Factor For Superconductivity In Fese-Based Superconductors By Raman Scattering, Animin Zhang, Xiaoli Ma, Yimeng Wang, Shanshan Sun, Bin Lei, Hechang Lei, Xianhui Chen, Xiaoqun Wang, Changfeng Chen, Qingming Zhang Aug 2019

Probing The Direct Factor For Superconductivity In Fese-Based Superconductors By Raman Scattering, Animin Zhang, Xiaoli Ma, Yimeng Wang, Shanshan Sun, Bin Lei, Hechang Lei, Xianhui Chen, Xiaoqun Wang, Changfeng Chen, Qingming Zhang

Physics & Astronomy Faculty Publications

The FeSe-based superconductors exhibit a wide range of critical temperature Tcunder a variety of material and physical conditions, but extensive studies to date have yet to produce a consensus view on the underlying mechanism. Here we report on a systematic Raman-scattering work on intercalated FeSe superconductors Lix(NH3)yFe2Se2 and (Li,Fe)OHFeSe compared to pristine FeSe. All three crystals show an anomalous power-law temperature dependence of phonon linewidths, deviating from the standard anharmonic behavior. This intriguing phenomenon is attributed to electron-phonon coupling effects enhanced by electron correlation, as evidenced by the evolution of the A1g Raman mode. Meanwhile, an ...


Stereodynamical Control Of A Quantum Scattering Resonance In Cold Molecular Collisions, Pablo G. Jambrina, James F.E. Croft, Hua Guo, Mark Brouard, Balakrishnan Naduvalath, F. Javier Aoiz Jul 2019

Stereodynamical Control Of A Quantum Scattering Resonance In Cold Molecular Collisions, Pablo G. Jambrina, James F.E. Croft, Hua Guo, Mark Brouard, Balakrishnan Naduvalath, F. Javier Aoiz

Chemistry and Biochemistry Faculty Publications

Cold collisions of light molecules are often dominated by a single partial wave resonance. For the rotational quenching of HD (v=1, j=2) by collisions with ground state para-H2, the process is dominated by a single L=2 partial wave resonance centered around 0.1 K. Here, we show that this resonance can be switched on or off simply by appropriate alignment of the HD rotational angular momentum relative to the initial velocity vector, thereby enabling complete control of the collision outcome.


The Delay Time Of Gravitational Wave — Gamma-Ray Burst Associations, Bing Zhang Jul 2019

The Delay Time Of Gravitational Wave — Gamma-Ray Burst Associations, Bing Zhang

Physics & Astronomy Faculty Publications

The first gravitational wave (GW) — gamma-ray burst (GRB) association, GW170817/GRB 170817A, had an offset in time, with the GRB trigger time delayed by ∼1.7 s with respect to the merger time of the GW signal. We generally discuss the astrophysical origin of the delay time, Δt, of GW-GRB associations within the context of compact binary coalescence (CBC) — short GRB (sGRB) associations and GW burst — long GRB (lGRB) associations. In general, the delay time should include three terms, the time to launch a clean (relativistic) jet, Δtjet; the time for the jet to break out from the surrounding medium ...


Topological Nodal Line Semimetals In Graphene Network Structures, Jian-Tao Wang, Hongming Weng, Chengfeng Chen Jul 2019

Topological Nodal Line Semimetals In Graphene Network Structures, Jian-Tao Wang, Hongming Weng, Chengfeng Chen

Physics & Astronomy Faculty Publications

Topological semimetals are a fascinating class of quantum materials that possess extraordinary electronic and transport properties. These materials have attracted great interests in recent years for their fundamental significance and potential device applications. There have been intensive studies suggested that three-dimensional graphene networks support topological semimetals with two types of continuous nodal lines: one is to form closed nodal rings in Brillouin zone and the other ones traversing the whole Brillouin zone to be periodically connected. Carbon has negligible spin-orbit coupling, non-magnetism and great diversity of allotropes, which makes it very promising in realizing topological nodal line semimetals. Here we ...


How Bright Are Fast Optical Bursts Associated With Fast Radio Bursts?, Yuan-Pei Yang, Bing Zhang, Jian-Yan Wei Jun 2019

How Bright Are Fast Optical Bursts Associated With Fast Radio Bursts?, Yuan-Pei Yang, Bing Zhang, Jian-Yan Wei

Physics & Astronomy Faculty Publications

The origin of fast radio bursts (FRBs) is still unknown. Multiwavelength observations during or shortly after the FRB phase would be essential to identify the counterpart of an FRB and to constrain its progenitor and environment. In this work, we investigate the brightness of the “fast optical bursts” (FOBs) associated with FRBs and the prospects of detecting them. We investigate several inverse Compton (IC) scattering processes that might produce an FOB, including both the one-zone and two-zone models. We also investigate the extension of the same mechanism of FRB emission to the optical band. We find that a detectable FOB ...


Superconductivity In The Van Der Waals Layered Compound Ps2, Yan-Ling Li, Elissaios Stavrou, Qiang Zhu, Samantha M. Clarke, Yunguo Li, Hong-Mei Huang Jun 2019

Superconductivity In The Van Der Waals Layered Compound Ps2, Yan-Ling Li, Elissaios Stavrou, Qiang Zhu, Samantha M. Clarke, Yunguo Li, Hong-Mei Huang

Physics & Astronomy Faculty Publications

van der Waals (vdW) layered compounds provided a fruitful research platform for the realization of superconductivity. However, a vdW layered superconductor with a high transition temperature (Tc) at ambient conditions is still rare. Here, using variable-composition evolutionary structure predictions, we systematically explored the stable compounds in the P-S system up to 20 GPa. Opposed to the complex stoichiometries at ambient conditions, only one compound, PS2, is predicted to be thermodynamically stable above 8 GPa. Strikingly, PS2 is a vdW layered material isostructural to 3R−MoS2 exhibiting a predicted Tc of around 11 K at ambient pressure, both in the bulk ...


Magnetic Borophenes From An Evolutionary Search, Meng-Hong Zhu, Xiao-Ji Weng, Guoying Gao, Shuai Dong, Ling-Fang Lin, Wei-Hua Wang, Qiang Zhu, Artem R. Oganov, Xiao Dong, Yongjun Tian, Xiang-Feng Zhou, Hui-Tian Wang May 2019

Magnetic Borophenes From An Evolutionary Search, Meng-Hong Zhu, Xiao-Ji Weng, Guoying Gao, Shuai Dong, Ling-Fang Lin, Wei-Hua Wang, Qiang Zhu, Artem R. Oganov, Xiao Dong, Yongjun Tian, Xiang-Feng Zhou, Hui-Tian Wang

Physics & Astronomy Faculty Publications

A computational methodology based on ab initio evolutionary algorithms and spin-polarized density functional theory was developed to predict two-dimensional magnetic materials. Its application to a model system borophene reveals an unexpected rich magnetism and polymorphism. A metastable borophene with nonzero thickness is an antiferromagnetic semiconductor from first-principles calculations, and can be further tuned into a half-metal by finite electron doping. In this borophene, the buckling and coupling among three atomic layers are not only responsible for magnetism, but also result in an out-of-plane negative Poisson's ratio under uniaxial tension, making it the first elemental material possessing auxetic and magnetic ...


Kondo Signatures Of A Quantum Magnetic Impurity In Topological Superconductors, Rui Wang, Wei-Yi Su, Jian-Xin Zhu, Chin-Sen Ting, Hai Li, Changfeng Chen, Baigeng Wang, Xiaoqun Wang Mar 2019

Kondo Signatures Of A Quantum Magnetic Impurity In Topological Superconductors, Rui Wang, Wei-Yi Su, Jian-Xin Zhu, Chin-Sen Ting, Hai Li, Changfeng Chen, Baigeng Wang, Xiaoqun Wang

Physics & Astronomy Faculty Publications

We study the Kondo physics of a quantum magnetic impurity in two-dimensional topological superconductors (TSCs), either intrinsic or induced on the surface of a bulk topological insulator, using a numerical renormalization group technique. We show that, despite sharing the p+ip pairing symmetry, intrinsic and extrinsic TSCs host different physical processes that produce distinct Kondo signatures. Extrinsic TSCs harbor an unusual screening mechanism involving both electron and orbital degrees of freedom that produces rich and prominent Kondo phenomena, especially an intriguing pseudospin Kondo singlet state in the superconducting gap and a spatially anisotropic spin correlation. In sharp contrast, intrinsic TSCs ...


Fluorine Chemistry At Extreme Conditions: Possible Synthesis Of Hgf4, Michael G. Pravica, Sarah Schyck, Blake Harris, Petrika Cifligu, Eunja Kim, Brant Billinghurst Feb 2019

Fluorine Chemistry At Extreme Conditions: Possible Synthesis Of Hgf4, Michael G. Pravica, Sarah Schyck, Blake Harris, Petrika Cifligu, Eunja Kim, Brant Billinghurst

Physics & Astronomy Faculty Publications

By irradiating a pressurized mixture of a fluorine-bearing compound (XeF2XeF2) and HgF2HgF2 with synchrotron hard x-rays ... (See full text for complete abstract)


Ternary Inorganic Electrides With Mixed Bonding, Junjie Wang, Qiang Zhu, Zhenhai Wang, Hideo Hosono Feb 2019

Ternary Inorganic Electrides With Mixed Bonding, Junjie Wang, Qiang Zhu, Zhenhai Wang, Hideo Hosono

Physics & Astronomy Faculty Publications

A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identified three new thermodynamically stable materials (Li12Mg3Si4, NaBa2O, and Ca5Ga2N4) as potential electrides made by main group elements, in addition to the well known mayenite based electride (C12A7:e−). Different from those conventional inorganic electrides in which the excess electrons play only the role of anions, the three new materials, resembling the electrides found in simple metals under high pressure, possess mixed ionic and metallic bonding. The interplay between two competing mechanisms, together with the different crystal packing ...


A Loud Quasi-Periodic Oscillation After A Atar Is Disrupted By A Massive Black Hole, Dheeraj R. Pasham, Ronald A. Remillard, P. Chris Fragile, Alessia Franchini, Nicholas C. Stone, Giuseppe Lodato, Jeroen Homan, Deepto Chakrabarty, Frederick K. Baganoff, James F. Steiner, Eric R. Coughlin, Nishanth R. Pasham Feb 2019

A Loud Quasi-Periodic Oscillation After A Atar Is Disrupted By A Massive Black Hole, Dheeraj R. Pasham, Ronald A. Remillard, P. Chris Fragile, Alessia Franchini, Nicholas C. Stone, Giuseppe Lodato, Jeroen Homan, Deepto Chakrabarty, Frederick K. Baganoff, James F. Steiner, Eric R. Coughlin, Nishanth R. Pasham

Physics & Astronomy Faculty Publications

The tidal forces close to massive black holes can rip apart stars that come too close to them. As the resulting stellar debris spirals toward the black hole, the debris heats up and emits x-rays. We report observations of a stable 131-second x-ray quasi-periodic oscillation from the tidal disruption event ASASSN-14li. Assuming the black hole mass indicated by host galaxy scaling relations, these observations imply that the periodicity originates from close to the event horizon and that the black hole is rapidly spinning. Our findings demonstrate that tidal disruption events can generate quasi-periodic oscillations that encode information about the physical ...


Cob6 Monolayer: A Robust Two-Dimensional Ferromagnet, Xiao Tang, Weiguo Sun, Yuantong Gu, Cheng Lu, Liangzhi Kou, Changfeng Chen Jan 2019

Cob6 Monolayer: A Robust Two-Dimensional Ferromagnet, Xiao Tang, Weiguo Sun, Yuantong Gu, Cheng Lu, Liangzhi Kou, Changfeng Chen

Physics & Astronomy Faculty Publications

Two-dimensional (2D) magnetic materials are essential to developing high-performance spintronic devices. Recent experimental discoveries of several atomic thin 2D ferromagnetic materials have stimulated great interest in further exploring this fascinating class of materials. Here, combining an advanced crystal structure search method and extensive first-principles energetic and dynamic calculations, we have identified a planar CoB6 monolayer as a stable 2D ferromagnet. We show that the ferromagnetic ground state of the CoB6 monolayer remains robust in the ambient environment, and the magnetic stability and moment can be remarkably enhanced and tuned by external strain. Moreover, we propose feasible synthesis routes for the ...


First-Principles Investigation Of Sc-Iii/Iv Under High Pressure, Sheng-Cai Zhu, Xiao-Zhi Yan, Scott Fredericks, Yan-Ling Li, Qiang Zhu Dec 2018

First-Principles Investigation Of Sc-Iii/Iv Under High Pressure, Sheng-Cai Zhu, Xiao-Zhi Yan, Scott Fredericks, Yan-Ling Li, Qiang Zhu

Physics & Astronomy Faculty Publications

Using an ab initio evolutionary structure prediction method in conjunction with density functional theory, we performed a systematic investigation of the structural transition of elemental scandium under pressure up to 250 GPa. Our prediction successfully reproduced several allotropes which have been reported in the literature, including the Sc-I, Sc-II, and Sc-V. Moreover, we observed a series of energetically degenerate and geometrically similar structures at 110–195 GPa, which can partly explain the experimental observations regarding the unsolved phases III and IV reported by Y. Akahama et al. [Phys. Rev. Lett. 94, 195503 (2005)]. A detailed comparison of the powder x-ray ...


Studies Of Inner-Shell Chemistry Of Mercury Based Compounds At Extreme Conditions, Sarah Schyck Dec 2018

Studies Of Inner-Shell Chemistry Of Mercury Based Compounds At Extreme Conditions, Sarah Schyck

UNLV Theses, Dissertations, Professional Papers, and Capstones

It has been theoretically predicted that when mercury difluoride (HgF2) is pressurized to above 50 GPa in the presence of molecular fluorine, it will most likely transform into mercury tetrafluoride (HgF4), thus mercury will behave as a transition element at high pressure. However, there is no experimental evidence verifying this prediction yet. To begin with, the crystalline properties of pure HgF2 at high pressure were not experimentally established. In this thesis, the high pressure structural properties of HgF2 are investigated by means of synchrotron X-ray powder diffraction. Our results reveal that the predicted, ambient cubic structure of HgF2 with the ...


Bayesian Model Comparisons In Planetary Science, John Henry Boisvert Dec 2018

Bayesian Model Comparisons In Planetary Science, John Henry Boisvert

UNLV Theses, Dissertations, Professional Papers, and Capstones

Model comparison in the modern era allows us to use statistical methods that were previously difficult with older machines. I present a state-of-the-art model comparison code that uses modern Bayesian statistics to measure the Bayes factor between two competing models. The Bayes factor is the ratio of the probability of the data given one model to the probability of the data given another model. My code was used to compare models in five problems in planetary science. The first three pertain to radial velocity exoplanet data. There is a degeneracy in the radial velocity exoplanet signal between a single planet ...


Optimization Of Useful Hard X-Ray Photochemistry, David Lewis Goldberger Dec 2018

Optimization Of Useful Hard X-Ray Photochemistry, David Lewis Goldberger

UNLV Theses, Dissertations, Professional Papers, and Capstones

X-ray induced damage is generally considered a nuisance, but in the field of Useful Hard X-ray Photochemistry we harness the highly ionizing and penetrating properties of hard X-rays (> 7 keV) to initiate novel photochemical decomposition and synthesis at ambient and extreme conditions. Preliminary experiments suggest that the energy of irradiating photons and the sample pressure play roles in determining the nature of X-ray induced damage. Here, we present the X-ray energy dependence of damage induced in strontium oxalate, strontium nitrate, and barium nitrate, as well as the pressure dependence of X-ray induced damage of strontium oxalate. Our results indicate that ...


Design, Layout, And Testing Of Sige Apds Fabricated In A Bicmos Process, Dane Laurence Gentry Dec 2018

Design, Layout, And Testing Of Sige Apds Fabricated In A Bicmos Process, Dane Laurence Gentry

UNLV Theses, Dissertations, Professional Papers, and Capstones

This Thesis is concerned with the design, layout, and testing of avalanche photodiodes (APDs). APDs are a type of photodetector and, thus, convert light signals into electrical signals (current or voltage). APDs can be fabricated using silicon (Si). In this Thesis, however, three integrated circuit (IC) chips containing various silicon-germanium (SiGe) APDs with different sizes, structures, and geometries were designed, laid out, and fabricated using the Austriamicrosystems (AMS) 0.35μm SiGe BiCMOS (S35) process. This was done in order to compare SiGe APDs to Si only APDs and investigate the hypothesis that SiGe APDs are capable of detecting longer wavelengths ...


First Observation Of P-Odd Gamma Asymmetry In Polarized Neutron Capture On Hydrogen, D. Blyth, J. Fry, N. Fomin, R. Alarcon, L. Alonzi, E. Askanazi, S. Baeßler, S. Balascuta, L. Barrón-Palos, Alex Barzilov, J. D. Bowman, N. Birge, J. R. Calarco, T. E. Chupp, V. Cianciolo, C. E. Coppola, C. B. Crawford, K. Craycraft, D. Evans, C. Fieseler, E. Frlež, I. Garishvili, M. T. W. Gericke, R. C. Gillis, K. B. Grammer, G. L. Greene, J. Hall, J. Hamblen, C. Hayes, E. B. Iverson, M. L. Kabir Dec 2018

First Observation Of P-Odd Gamma Asymmetry In Polarized Neutron Capture On Hydrogen, D. Blyth, J. Fry, N. Fomin, R. Alarcon, L. Alonzi, E. Askanazi, S. Baeßler, S. Balascuta, L. Barrón-Palos, Alex Barzilov, J. D. Bowman, N. Birge, J. R. Calarco, T. E. Chupp, V. Cianciolo, C. E. Coppola, C. B. Crawford, K. Craycraft, D. Evans, C. Fieseler, E. Frlež, I. Garishvili, M. T. W. Gericke, R. C. Gillis, K. B. Grammer, G. L. Greene, J. Hall, J. Hamblen, C. Hayes, E. B. Iverson, M. L. Kabir

Mechanical Engineering Faculty Publications

We report the first observation of the parity-violating gamma-ray asymmetry A(gamma)(np) in neutron-proton capture using polarized cold neutrons incident on a liquid parahydrogen target at the Spallation Neutron Source at Oak Ridge National Laboratory. A(gamma)(np) isolates the Delta I = 1, S-3(1)-> P-3(1) component of the weak nucleon-nucleon interaction, which is dominated by pion exchange and can be directly related to a single coupling constant in either the DDH meson exchange model or pionless effective field theory… See full text for full abstract.


Rare Helium-Bearing Compound Feo2he Stabilized At Deep-Earth Conditions, Jurong Zhang, Jian Lv, Hefei Li, Xiaolei Feng, Cheng Lu, Simon A. T. Redferm, Hanyu Liu, Changfeng Chen, Yanming Ma Dec 2018

Rare Helium-Bearing Compound Feo2he Stabilized At Deep-Earth Conditions, Jurong Zhang, Jian Lv, Hefei Li, Xiaolei Feng, Cheng Lu, Simon A. T. Redferm, Hanyu Liu, Changfeng Chen, Yanming Ma

Physics & Astronomy Faculty Publications

There is compelling geochemical evidence for primordial helium trapped in Earth’s lower mantle, but the origin and nature of the helium source remain elusive due to scarce knowledge on viable helium-bearing compounds that are extremely rare. Here we explore materials physics underlying this prominent challenge. Our structure searches in conjunction with first-principles energetic and thermodynamic calculations uncover a remarkable helium-bearing compound FeO2He at high pressure-temperature conditions relevant to the core-mantle boundary. Calculated sound velocities consistent with seismic data validate FeO2He as a feasible constituent in ultralow velocity zones at the lowermost mantle. These mutually corroborating findings establish the first ...


Boron Oxides Under Pressure: Prediction Of The Hardest Oxides, Huafeng Dong, Artem R. Oganov, Vadim V. Brazhkin, Qinggao Wang, Jin Zhang, M. Mahdi Davari Esfahani, Xiang-Feng Zhou, Fugen Wu, Qiang Zhu Nov 2018

Boron Oxides Under Pressure: Prediction Of The Hardest Oxides, Huafeng Dong, Artem R. Oganov, Vadim V. Brazhkin, Qinggao Wang, Jin Zhang, M. Mahdi Davari Esfahani, Xiang-Feng Zhou, Fugen Wu, Qiang Zhu

Physics & Astronomy Faculty Publications

We search for stable compounds of boron and oxygen at pressures from 0 to 500 GPa using the ab initio evolutionary algorithm uspex. Only two stable stoichiometries of boron oxides, namely, B6O and B2O3, are found to be stable, in good agreement with experiment. A hitherto unknown phase of B6O at ambient pressure, Cmcm−B6O, has recently been predicted by us and observed experimentally. For B2O3, we predict three previously unknown stable high-pressure phases—two of these (Cmc21 and P212121) are dynamically and mechanically stable at ambient pressure, and should be quenchable to ambient conditions. Their predicted hardnesses, reaching 33 ...


Pressure Effect On The Antiferromagnetic Compound Ce2ni3ge5, Jun Gouchi, Yuki Nakamura, Miho Nakashima, Tasushi Amako, Ravhi Kumar, Yoshiya Uwatoko Oct 2018

Pressure Effect On The Antiferromagnetic Compound Ce2ni3ge5, Jun Gouchi, Yuki Nakamura, Miho Nakashima, Tasushi Amako, Ravhi Kumar, Yoshiya Uwatoko

Physics & Astronomy Faculty Publications

In this study, the electrical resistivity and magnetization of a single crystal of Ce2Ni3Ge5 heavy fermion compound were performed under pressure. The resistivity and magnetization showed two antiferromagnetic transitions at ambient pressure. On applying pressure, the transitions merged at 1 GPa. At higher pressures, the antiferromagnetic transition temperature decreases, and disappears. It is suggesting that the critical pressure of Ce2Ni3Ge5 was 4.1 GPa.


Computational Discovery Of A New Rhombohedral Diamond Phase, Zhen-Zhen Li, Jian-Tao Wang, Hiroshi Mizuseki, Changfeng Chen Sep 2018

Computational Discovery Of A New Rhombohedral Diamond Phase, Zhen-Zhen Li, Jian-Tao Wang, Hiroshi Mizuseki, Changfeng Chen

Physics & Astronomy Faculty Publications

We identify by first-principles calculations a new diamond phase in R¯3c (D63d) symmetry, which has a 16-atom rhombohedral primitive cell, thus termed R16 carbon. This rhombohedral diamond comprises a characteristic all-sp3 six-membered-ring bonding network, and it is energetically more stable than previously identified diamondlike six-membered-ring bonded BC8 and BC12 carbon phases. A phonon mode analysis verifies the dynamic structural stability of R16 carbon, and electronic band calculations reveal that it is an insulator with a direct band gap of 4.45 eV. Simulated x-ray diffraction patterns provide an excellent match to recently reported distinct diffraction peaks found in milled ...


Unraveling The Stereodynamics Of Cold Controlled Hd−H2 Collisions, James F. E. Croft, Naduvalath Balakrishnan, Meng Huang, Hua Guo Sep 2018

Unraveling The Stereodynamics Of Cold Controlled Hd−H2 Collisions, James F. E. Croft, Naduvalath Balakrishnan, Meng Huang, Hua Guo

Chemistry and Biochemistry Faculty Publications

Measuring inelastic rates with partial-wave resolution requires temperatures close to a Kelvin or below, even for the lightest molecule. In a recent experiment, Perreault, Mukherjee, and Zare [Nat. Chem. 10, 561 (2018).] studied collisional relaxation of excited HD molecules in the v=1, j=2 state by para- and ortho-H2 at a temperature of about 1 K, extracting the angular distribution of scattered HD in the v=1, j=0 state. By state preparation of the HD molecules, control of the angular distribution of scattered HD was demonstrated. Here, we report a first-principles simulation of that experiment which enables us ...


Multiferroic And Ferroic Topological Order In Ligand-Functionalized Germanene And Arsenene, Liangzhi Kou, Yandong Ma, Ting Liao, Aijun Du, Changfeng Chen Aug 2018

Multiferroic And Ferroic Topological Order In Ligand-Functionalized Germanene And Arsenene, Liangzhi Kou, Yandong Ma, Ting Liao, Aijun Du, Changfeng Chen

Physics & Astronomy Faculty Publications

Two-dimensional (2D) materials that exhibit ferroelectric, ferromagnetic, or topological order have been a major focal topic of nanomaterials research in recent years. The latest efforts in this field explore 2D quantum materials that host multiferroic or concurrent ferroic and topological order. We present a computational discovery of multiferroic state with coexisting ferroelectric and ferromagnetic order in recently synthesized CH2OCH3-functionalized germanene. We show that an electric-field-induced rotation of the ligand CH2OCH3 molecule can serve as the driving mechanism to switch the electric polarization of the ligand molecule, while unpassivated Ge p(z) orbits generate ferromagnetism. Our study also reveals coexisting ferroelectric ...


Unraveling The Structure And Bonding Evolution Of The Newly Discovered Iron Oxide Feo2, Cheng Lu, Maximilian Amsler, Changfeng Chen Aug 2018

Unraveling The Structure And Bonding Evolution Of The Newly Discovered Iron Oxide Feo2, Cheng Lu, Maximilian Amsler, Changfeng Chen

Physics & Astronomy Faculty Publications

Recently reported synthesis of FeO2 at high pressure has stimulated great interest in exploring this new iron oxide and elucidating its properties. Here, we present a systematic computational study of crystal structure, chemical bonding, and sound velocity of FeO2 in a wide range of pressure. Our results establish thermodynamic stability of the experimentally observed pyrite phase (P-phase) of FeO2 at pressures above 74 GPa and unveil two metastable FeO2 phases in Pbcn and P4(2)/mnm symmetry at lower pressures. Simulated x-ray diffraction (XRD) spectra of Pbcn and P4(2)/mnm FeO2 match well with measured XRD data of the ...


Conformal Mapping Improvement Of The Boundary Element Method Solution For Underground Water Flow In A Domain With A Very Singular Boundary, Megan Romero Aug 2018

Conformal Mapping Improvement Of The Boundary Element Method Solution For Underground Water Flow In A Domain With A Very Singular Boundary, Megan Romero

UNLV Theses, Dissertations, Professional Papers, and Capstones

Numerical solutions using a Boundary Element Method (BEM) for a confined flow in a very singular finite domain are developed. Typically, in scientific journal publications, authors avoid domains with many and more malignant singularities due to the extremely big and difficult to estimate errors in the numerical calculations. Using exact Conformal Mapping solutions for simplified domains with the same singularity as in the original domain, this problem can be solved numerically with improvements introduced by Conformal Mapping solutions. Firstly, to experiment with improving the BEM solution by Conformal Mapping, a domain inside a rectangle is considered. The exact solution inside ...


Crystallographic Exploration Of Fundamental Technetium Species At Nonambient Conditions, Daniel S. Mast Aug 2018

Crystallographic Exploration Of Fundamental Technetium Species At Nonambient Conditions, Daniel S. Mast

UNLV Theses, Dissertations, Professional Papers, and Capstones

The study of mater under extreme conditions has yielded fascinating insight into the physical and chemical nature of materials that under more modest conditions are considered mundane but have quite unusual properties when under pressure. Examples of this are the lightest of elements found in the first two rows and in the heaviest elements of the lanthanide and actinide series. Pure elements, though the simplest possible chemical systems, have proven to be among the most complex and interesting. Technetium metal is a simple HCP transition metal that, due to its half-filled d-shell, has a rich chemistry and an important place ...


Topological Nodal Line Semimetal In An Orthorhombic Graphene Network Structure, Jian-Tao Wang, Changfeng Chen, Yoshiyuki Kawazoe Jun 2018

Topological Nodal Line Semimetal In An Orthorhombic Graphene Network Structure, Jian-Tao Wang, Changfeng Chen, Yoshiyuki Kawazoe

Physics & Astronomy Faculty Publications

Topological semimetals are a fascinating class of quantum materials that possess extraordinary electronic and transport properties. These materials have attracted great interest in recent years for their fundamental significance and potential device applications. Currently a major focus in this research field is to theoretically explore and predict and experimentally verify and realize material systems that exhibit a rich variety of topological semimetallic behavior, which would allow a comprehensive characterization of the intriguing properties and a full understanding of the underlying mechanisms. In this paper, we report on ab initio calculations that identify a carbon allotrope with simple orthorhombic crystal structure ...


Evaluation Of A Continuous Air Monitoring System On An Unmanned Aerial Vehicle For Measurement Of Airborne Radioactive Material, Adam Pfannenstein May 2018

Evaluation Of A Continuous Air Monitoring System On An Unmanned Aerial Vehicle For Measurement Of Airborne Radioactive Material, Adam Pfannenstein

UNLV Theses, Dissertations, Professional Papers, and Capstones

The release of airborne radioactive material presents a health risk hazard to many individuals, emergency responders and public. It is necessary to characterize the unknown radioactive dangers produced in the event of these incidents. Advantages to utilizing unmanned aerial systems in this effort are personnel risk reduction and quick attainment of data points in a plume. By pairing a continuous air monitor and detector with a drone, radioactive material concentration can be quantified, and thus the extent of potential doses can be estimated. A small, low-flow air sampler with a Geiger-Mueller counter was characterized using measurements of sources representing a ...


Design & Delivery Of Automated Winston-Lutz Test For Isocentric & Off-Axis Delivery Stability Utilizing Truebeam Developer Mode & Electronic Portal Imaging Device, Mahmoud Mohammad Yaqoub May 2018

Design & Delivery Of Automated Winston-Lutz Test For Isocentric & Off-Axis Delivery Stability Utilizing Truebeam Developer Mode & Electronic Portal Imaging Device, Mahmoud Mohammad Yaqoub

UNLV Theses, Dissertations, Professional Papers, and Capstones

The uncertainties in treatment delivery cannot be ignored in radiation therapy. Thus, the quality assurance QA tests are very important task of the medical physicist in clinical practice. Assuring the coincidence between the mechanical isocenter of the Linear Accelerator (LINAC) and its radiation beams isocenter is one of the most important qualities need to be tested, and the Winston Lust (WL) test is the

most popular technique to perform this task, especially for the treatment modalities which need high precision in beam delivery such as the stereotactic radiosurgery/stereotactic body radiotherapy (SRS/SBRT). The linear accelerator-based SRS/SBRT is a ...