Showing 2018 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2018★ 209 cited

VI3 - a new layered ferromagnetic semiconductor

Tai Kong, Karoline Stolze, Erik I. Timmons +6

Two-dimensional (2D) materials are promising candidates for next-generation electronic devices. In this regime, insulating 2D ferromagnets, which remain rare, are of special import…

cond-mat.mtrl-sci2018★ 42 cited

High thermoelectric efficiency in monolayer PbI from 300 K to 900 K

Bo Peng, Haodong Mei, Hao Zhang +6

By using a first-principles approach, monolayer PbI is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtai…

cond-mat.mtrl-sci2018★ 13 cited

Effects of dopants on the glass forming ability in Al-based metallic alloy

Yang Sun, Feng Zhang, Lin Yang +4

The effect of dopants on the metallic glass forming ability is usually considered based on analysis of changes in the liquid structure or thermodynamics. What is missing in such co…

cond-mat.mtrl-sci2018★ 31 cited

Defect-Fluorite Gd2Zr2O7 Ceramics under Helium Irradiation: Amorphization, Cell Volume Expansion, and Multi-stage Bubble Formation

Zhangyi Huang, Nannan Ma, Jianqi Qi +7

Here, we report a study on the radiation resistance enhancement of Gd2Zr2O7 nanograin ceramics, in which amorphization, cell volume expansion and multi-stage helium (He) bubble for…

cond-mat.mtrl-sci2018

Experimental measurements of the temperature-dependent Van Hove function in a liquid

R. Ashcraft, Z. Wang, D. L. Abernathy +3

Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic ne…

cond-mat.mtrl-sci2018★ 24 cited

Revealing the nature of antiferro-quadrupolar ordering in Cerium Hexaboride: CeB

Chanchal Barman, Prashant Singh, Duane D. Johnson +1

Cerium-hexaboride (CeB) f-electron compound displays a rich array of low-temperature magnetic phenomena, including `magnetically hidden' order, identified as multipolar in orig…

cond-mat.mtrl-sci2018★ 34 cited

Topological states in A15 superconductors

Minsung Kim, Cai-Zhuang Wang, Kai-Ming Ho

Superconductors with the A15 structure are prototypical type-II s-wave superconductors which have generated considerable interest in early superconducting material history. However…

cond-mat.mtrl-sci2018

Simple correction to bandgap in IV and III-V semiconductors: an improved first-principles local density functional theory

Sujoy Datta, Prashant Singh, Chhanda B. Chaudhuri +4

We report results from a fast, efficient, and first-principles full-potential N-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen-Baerends correction to lo…

cond-mat.mtrl-sci2018★ 45 cited

Deformation, lattice instability, and metallization during solid-solid structural transformations under general applied stress tensor: example of Si I -> Si II

Nikolai A. Zarkevich, Hao Chen, Valery I. Levitas +1

Density functional theory (DFT) was employed to study the stress-strain behavior, elastic instabilities, and metallization during a solid-solid phase transformation (PT) between se…

cond-mat.mtrl-sci2018★ 28 cited

Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family FeAs

Vladislav Borisov, Paul C. Canfield, Roser Valenti

By performing pressure simulations within density functional theory for the family of iron-based superconductors FeAs with = Ca, Sr, Ba and = K, Rb, Cs we p…

cond-mat.mtrl-sci2018★ 2 cited

Shear driven formation of nano-diamonds at sub-gigapascals and 300 K

Yang Gao, Yanzhang Ma, Qi An +5

The transformation pathways of carbon at high pressures are of broad interest for synthesis of novel materials and for revealing the Earth's geological history. We have applied lar…

cond-mat.mtrl-sci2018★ 24 cited

Single Crystal Permanent Magnet: Extraordinary Magnetic Behavior in the ta, Cu and Fe Substituted CeCo5 System

Tej N. Lamichhane, Michael T. Onyszczak, Olena Palasyuk +12

To reduce material and processing costs of commercial permanent magnets and to attempt to fill the empty niche of energy products, 10 - 20 MGOe, between low-flux (ferrites, alnico)…

cond-mat.mtrl-sci2018★ 55 cited

Magnetic properties of single crystalline itinerant ferromagnet AlFe2B2

Tej N. Lamichhane, Li Xiang, Qisheng Lin +7

Single crystals of AlFeB have been grown using the self flux growth method and then measured the structural properties, temperature and field dependent magnetization, a…

cond-mat.mtrl-sci2018★ 102 cited

Ultrafast Terahertz Conductivity Probes of Topologically Enhanced Surface Transport Driven by Mid-Infrared Laser Pulses in BiSe

L. Luo, X. Yang, X. Liu +8

The recent discovery of topology-protected charge transport of ultimate thinness on surfaces of three-dimensional topological insulators (TIs) are breaking new ground in fundamenta…

cond-mat.mtrl-sci2018★ 10 cited

Effect of Samarium doping on the nucleation of fcc-Aluminum in undercooled liquids

Yang Sun, Feng Zhang, Lin Yang +5

The effect of Sm doping on the fcc-Al nucleation was investigated in Al-Sm liquids with low Sm concentrations (xSm) with molecular dynamics simulations. The nucleation in the moder…

cond-mat.mtrl-sci2018★ 69 cited

Spin-Polarized Tunneling through Chemical Vapor Deposited Multilayer Molybdenum Disulfide

André Dankert, Parham Pashaei, M. Venkata Kamalakar +10

The two-dimensional (2D) semiconductor molybdenum disulfide (MoS2) has attracted widespread attention for its extraordinary electrical, optical, spin and valley related properties.…

cond-mat.mtrl-sci2018★ 75 cited

Electronic, optical and transport properties of van der Waals Transition-metal Dichalcogenides Heterostructures: A First-principle Study

Ke Xu, Yuanfeng Xu, Hao Zhang +8

Two-dimensional (2D) transition-metal dichalcogenide (TMD) MX (M = Mo, W; X= S, Se, Te) possess unique properties and novel applications. In this work, we perform first-princip…

cond-mat.mtrl-sci2018★ 63 cited

Ultra-low-field magneto-elastocaloric cooling in a multiferroic composite device

Huilong Hou, Peter Finkel, Margo Staruch +2

The advent of caloric materials for magnetocaloric, elastocaloric, and electrocaloric cooling is changing the landscape of solid state cooling technologies with potentials for high…

cond-mat.mtrl-sci2018★ 12 cited

Extreme field-sensitivity of the magnetic tunneling in Fe-doped LiN

M. Fix, J. H. Atkinson, P. C. Canfield +2

The magnetic properties of dilute Li(LiFe)N with are dominated by the spin of single, isolated Fe atoms. Below K the spin-relaxation times b…

cond-mat.mtrl-sci2018★ 4 cited

Atomic motion in solids with dimpled potentials

N. A. Zarkevich

Polymorphic solids of the same chemical composition can have different atomic structures; in each polymorph atoms vibrate around a local potential energy minimum (LPEM). If transfo…

cond-mat.mtrl-sci2018★ 26 cited

Tuning phase-stability and short-range order through Al-doping in (CoCrFeMn)100-xAlx high entropy alloys

Prashant Singh, Amalraj Marshal, Andrei V. Smirnov +4

For (CoCrFeMn)Al high-entropy alloys, we investigate the phase evolution with increasing Al-content (0 x 20 at.%). From first-principles theory, the Al-…

cond-mat.mtrl-sci2018★ 6 cited

Spatially-correlated Site Occupancy in the Nonstoichiometric Meta-stable ε-Al60Sm11 Phase during Devitrification of Al-10.2 at.% Sm Glasses

Lin Yang, Feng Zhang, Fan-Qiang Meng +7

A metastable ε-Al60Sm11 phase appears during the initial devitrification of as-quenched Al-10.2 at.% Sm glasses. The ε phase is nonstoichiometric in nature since Al occupation is o…

cond-mat.mtrl-sci2018★ 12 cited

Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe3 and LaCrSb3

Manh Cuong Nguyen, Valentin Taufour, Sergey L. Budko +4

In this paper, we present a coupled experimental/theoretical investigation of pressure effect on the ferromagnetism of LaCrGe3 and LaCrSb3 compounds. The magnetic, electronic, elas…

cond-mat.mtrl-sci2018

Effects of Grain Boundary Disorder on Yield Strength

Valery Borovikov, Mikhail I. Mendelev, Alexander H. King

It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we e…