arXiv subjects

Manh Cuong Nguyen

Publications and source records attributed to Manh Cuong Nguyen.

23 records · Page 2Linked to original sources

arXiv2017

Highly responsive ground state of PbTaSe$_2$: structural phase transition and evolution of superconductivity under pressure

Transport and magnetic studies of PbTaSe$_2$ under pressure suggest existence of two superconducting phases with the low temperature phase boundary at $\sim 0.25$ GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near $\sim 425$ K. The new, high temperature / high pressure phase has a similar crystal structure and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the $1a$ to $1e$ Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe$_2$ has an exceptionally pressure sensitive, structural phase transition with $ΔT_s/ΔP \approx - 1700$ K/GPa near 4 K, this first order transition causes an $\sim 1$ K ($\sim 25 \%$) step - like decrease in $T_c$ as pressure is increased through 0.25 GPa.

cond-mat.supr-con↗

arXiv2016

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe$_3$ under Pressure

The temperature-pressure phase diagram of the ferromagnet LaCrGe$_3$ is determined for the first time from a combination of magnetization, muon-spin-rotation and electrical resistivity measurements. The ferromagnetic phase is suppressed near $2.1$~GPa, but quantum criticality is avoided by the appearance of a magnetic phase, likely modulated, AFM$_Q$. Our density functional theory total energy calculations suggest a near degeneracy of antiferromagnetic states with small magnetic wave vectors $Q$ allowing for the potential of an ordering wave vector evolving from $Q=0$ to finite $Q$, as expected from the most recent theories on ferromagnetic quantum criticality. Our findings show that LaCrGe$_3$ is a very simple example to study this scenario of avoided ferromagnetic quantum criticality and will inspire further study on this material and other itinerant ferromagnets.

cond-mat.str-el↗

arXiv2015

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures, we discovered many other different tetrahedral-network-based crystal structures which are highly degenerate in energy. These structures can be classified into structures with 1D, 2D and 3D M-Si-O frameworks. A clear trend of the structural preference in different systems was revealed and possible indicators that affect the structure stabilities were introduced. For the case of Na systems which have been much less investigated in the literature relative to the Li systems, we predicted their ground state structures and found evidence for the existence of new structural motifs.

physics.comp-ph↗

arXiv2015

Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

The structures and magnetic properties of the Co-Zr-B alloys near the Co5Zr composition were studied using adaptive genetic algorithm and first-principles calculations to guide further experimental effort on optimizing their magnetic performances. Through extensive structural searches, we constructed the contour maps of the energetics and magnetic moments of the Co-Zr-B magnet alloys as a function of composition. We found that the Co-Zr-B system exhibits the same structural motif as the "Co11Zr2" polymorphs, which plays a key role in achieving high coercivity. Boron atoms can either substitute selective cobalt atoms or occupy the interstitial sites. First-principles calculation shows that the magnetocrystalline anisotropy energies can be significantly improved through proper boron doping.

cond-mat.mtrl-sci↗

arXiv2015

Unconventional phase selection in high-driven systems: A complex metastable structure prevails over simple stable phases

Phase selection in deeply undercooled liquids and devitrified glasses during heating involves complex interplay between the barriers to nucleation and the ability for these nuclei to grow. During the devitrification of glassy alloys, complicated metastable structures often precipitate instead of simpler, more stable compounds. Here, we access this unconventional type of phase selections by investigating an Al-10%Sm system, where a complicated cubic structure first precipitates with a large lattice parameter of 1.4 nm. We not only solve the structure of this "big cubic" phase containing ~140 atoms but establish an explicit interconnection between the structural orderings of the amorphous alloy and the cubic phase, which provides a low-barrier nucleation pathway at low temperatures. The surprising rapid growth of the crystal is attributed to its high tolerance to point defects, which minimize the short-scale atomic rearrangements to form the crystal. Our study suggests a new scenario of devitrification, where phase transformation proceeds initially without partitioning through a complex intermediate crystal phase.

cond-mat.mtrl-sci↗