arXiv subjects

N. Haldolaarachchige

Publications and source records attributed to N. Haldolaarachchige.

8 recordsLinked to original sources

arXiv2026

First Principle Analysis of the Magnetism and Electronic Structure of Fe2XSi (X=Ti, V)

The electronic, magnetic, and mechanical properties of Fe2XSi, where X is titanium (Ti) and vanadium (V), are investigated using computational methods. Volume optimization reveals that the ground state of Fe2TiSi is a nonmagnetic narrow-band gap semiconductor, and that of Fe2VSi is a ferrimagnetic metal. The negative formation energies of both materials confirm the stability of their crystal structures. Mechanical properties confirm the static stability of the crystal structure and suggest that the titanium compound is ductile; however, the vanadium material is brittle. Density of states and band structure studies confirm the nonmagnetic semiconducting nature with an indirect band gap at Γ and X for the titanium material and the ferrimagnetic-metallic nature of the vanadium material. Electronic and magnetic properties of the materials were investigated with applied tension (negative pressure) and compression (positive pressure) to the crystal structure. The pressure study on Fe2TiSi shows a tunable band gap and a possible semiconductor-metal transition, and Fe2VSi shows a tunable magnetic moment and a possible low-spin/high-spin magnetic transition.

cond-mat.mtrl-sci↗

arXiv2023

Signature of topological crystalline insulating behavior in new B2X2Zn (X=Ir, Rh, Co) compound from first-principles Computation

Recent attempts at topological materials have revealed a large class of materials that show gapless surface states protected by time-reversal symmetry and crystal symmetries. Among them, topological insulating states protected by crystal symmetries, rather than time-reversal symmetry are classified as topological crystalline insulators. We computationally predict the signature of new three-dimensional topological crystalline insulating compounds of space group 139(I/4mmm). After conducting a full volume optimization process by allowing to rearrange of atomic positions and lattice parameters, the first principles calculation with a generalized gradient approximation is utilized to identify multiple Dirac-type crossings around X and P symmetric points near Fermi energy. Importantly the band inversion at point P is recognized. Further, We investigate the compound for topological crystalline insulating behavior and identify metallic surface states on high-symmetry crystal surfaces with the projection to the plane (001). Additionally, we performed formation energy, elastic properties, and phonon modes calculations to verify the structural, mechanical, and dynamical stability of the compounds. Therefore, we suggest the compounds for further investigation and experimental realization.

cond-mat.mtrl-sci↗

arXiv2017

Temperature-field phase diagram of extreme magnetoresistance in lanthanum monopnictides

The recent discovery of extreme magnetoresistance in LaSb introduced lanthanum monopnictides as a new platform to study topological semimetals (TSMs). In this work we report the discovery of extreme magnetoresistance in LaBi, confirming lanthanum monopnictides as a promising family of TSMs. These binary compounds with the simple rock-salt structure are ideal model systems to search for the origin of extreme magnetoresistance. Through a comparative study of magnetotransport effects in LaBi and LaSb, we construct a triangular temperature-field phase diagram that illustrates how a magnetic field tunes the electronic behavior in these materials. We show that the triangular phase diagram can be generalized to other topological semimetals with different crystal structures and different chemical compositions. By comparing our experimental results to band structure calculations, we suggest that extreme magnetoresistance in LaBi and LaSb originates from a particular orbital texture on their qasi-2D Fermi surfaces. The orbital texture, driven by spin-orbit coupling, is likely to be a generic feature of various topological semimetals.

cond-mat.mtrl-sci↗

arXiv2015

Consequences of breaking time reversal symmetry in LaSb: a resistivity plateau and extreme magnetoresistance

Time reversal symmetry (TRS) protects the metallic surface modes of topological insulators (TIs). The transport signature of robust metallic surface modes of TIs is a plateau that arrests the exponential divergence of the insulating bulk with decreasing temperature. This universal behavior is observed in all TI candidates ranging from Bi2Te2Se to SmB6. Recently, several topological semimetals (TSMs) have been found that exhibit extreme magnetoresistance (XMR) and TI universal resistivity behavior revealed only when breaking TRS, a regime where TIs theoretically cease to exist. Among these new materials, TaAs and NbP are nominated for Weyl semimetal due to their lack of inversion symmetry, Cd3As2 is nominated for Dirac semimetal due to its linear band crossing at the Fermi level, and WTe2 is nominated for resonant compensated semimetal due to its perfect electron-hole symmetry. Here we introduce LaSb, a simple rock-salt structure material without broken inversion symmetry, without perfect linear band crossing, and without perfect electron-hole symmetry. Yet LaSb portrays all the exotic field induced behaviors of the aforementioned semimetals in an archetypal fashion. It shows (a) the universal TI resistivity with a plateau at 15 K, revealed by a magnetic field, (b) ultrahigh mobility of carriers in the plateau region, (c) quantum oscillations with a non-trivial Berry phase, and (d) XMR of about one million percent at 9 tesla rivaled only by WTe2 and NbP. Due to its dramatic simplicity, LaSb is the ideal model system to formulate a theoretical understanding of the exotic consequences of breaking TRS in TSMs.

cond-mat.mtrl-sci↗

arXiv2013

Ferromagnetic Quantum Critical Point in FeGa3 Tuned by Mixed-Valence Fe Dimers

The magnetic, transport, and thermal properties of single crystals of the series Fe(Ga1-xGex)3 are reported. Pure FeGa3 is a nonmagnetic semiconductor, that when doped with small concentrations of Ge (extrinsic electrons), passes through an insulator-to-metal transition and displays non-Fermi liquid (NFL) behavior. Moreover, we observer clear signatures of a ferromagnetic quantum critical point (FM-QCP) in this system at x = 0.052. The mechanism of the local moment formation is consistent with a one-electron reduction of Fe dimer singlets, a unique structural feature in FeGa3, where the density of these mixed valence (Fe(III)-Fe(II)) dimers provides a unique tuning parameter of quantum criticality.

cond-mat.str-el↗

arXiv2013

Superconducting and Critical Current Properties of NiBi3 Thin Films on Carbon Microfibers and Sapphire

The superconducting and critical current properties of thin films of NiBi3 formed on the surface of carbon microfibers and sapphire substrates are reported. The NiBi3 coated carbon microfibers were prepared by reacting 7 μm diameter Ni-coated (~ 80 nm) carbon fibers with Bi vapor, and thin films on sapphire were formed by exposing electron-beam deposited Ni films (~ 40 - 120 nm) to Bi vapor. The microfibers and films show Tc = 4.3 K and 4.4 K,respectively, which were slightly higher than that reported for bulk polycrystalline NiBi3. The critical current density (Jc) was measured below the transition temperature and is well described by the Ginzburg-Landau power-law.

cond-mat.supr-con↗

arXiv2013

Thermoelectric Properties of Intermetallic Semiconducting RuIn3 and Metallic IrIn3

Low temperature (<400 K) thermoelectric properties of semiconducting RuIn3 and metallic IrIn3 are reported. RuIn3 is a narrow band gap semiconductor with a large n-type Seebeck coefficient at room temperature (S(290K)~400 μV/K), but the thermoelectric Figure of merit (ZT(290K) = 0.007) is small because of high electrical resistivity and thermal conductivity (κ(290 K) ~ 2.0 W/m K). IrIn3 is a metal with low thermopower at room temperature (S(290K)~20 μV/K) . Iridium substitution on the ruthenium site has a dramatic effect on transport properties, which leads to a large improvement in the power factor and corresponding Figure of merit (ZT(380 K) = 0.053), improving the efficiency of the material by an over of magnitude.

cond-mat.mtrl-sci↗

arXiv2011

Effect of Chemical Doping on the Thermoelectric Properties of FeGa3

Thermoelectric properties of the chemically-doped intermetallic narrow-band semiconductor FeGa3 are reported. The parent compound shows semiconductor-like behavior with a small band gap (Eg = 0.2 eV), a carrier density of ~ 10(18) cm-3 and, a large n-type Seebeck coefficient (S ~ -400 μV/K) at room temperature. Hall effect measurements indicate that chemical doping significantly increases the carrier density, resulting in a metallic state, while the Seebeck coefficient still remains fairly large (~ -150 μV/K). The largest power factor (S2/ρ = 62 μW/m K2) and corresponding figure of merit (ZT = 0.013) at 390 K were observed for Fe0.99Co0.01(Ga0.997Ge0.003)3.

cond-mat.mtrl-sci↗