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View article: Deep-lying semi-Dirac fermions in hexagonal close-packed cadmium
Deep-lying semi-Dirac fermions in hexagonal close-packed cadmium Open
Semi-Dirac fermions are massless in one direction and massive in the perpendicular directions. Such quasiparticles have been proposed in various contexts in condensed matter. Using first principles calculations, we identify a pair of semi-…
View article: Impact of hole-doping on the thermoelectric properties of pyrite FeS <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si186.svg" display="inline" id="d1e402"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math>
Impact of hole-doping on the thermoelectric properties of pyrite FeS Open
View article: A comparative study of thermal transport properties in FeS<sub>2</sub> and RuS<sub>2</sub>
A comparative study of thermal transport properties in FeS<sub>2</sub> and RuS<sub>2</sub> Open
The thermal properties of RuS 2 have been investigated and compared to those of FeS 2 , its well-documented 3d analogue. Particular care was required in the synthesis of RuS 2 by solid-state reaction, due to the strongly exothermic nature …
View article: Deep-lying semi-Dirac fermions in hexagonal close-packed cadmium
Deep-lying semi-Dirac fermions in hexagonal close-packed cadmium Open
Semi-Dirac fermions are massless in one direction and massive in the perpendicular directions. Such quasiparticles have been proposed in various contexts in condensed matter. Using first principles calculations, we identify a pair of semi-…
View article: Phonon hydrodynamic regimes in sapphire
Phonon hydrodynamic regimes in sapphire Open
When an ideal insulator is cooled, four regimes of thermal conductivity are expected to emerge one after another. Two of these, the Ziman and the Poiseuille, are hydrodynamic regimes in which collision among phonons are mostly Normal. It h…
View article: Near-critical dark opalescence in out-of-equilibrium SF6
Near-critical dark opalescence in out-of-equilibrium SF6 Open
View article: Valence-Ordered Thin-Film Nickelate with Tri-component Nickel Coordination Prepared by Topochemical Reduction
Valence-Ordered Thin-Film Nickelate with Tri-component Nickel Coordination Prepared by Topochemical Reduction Open
The metal-hydride-based "topochemical reduction" process has produced several thermodynamically unstable phases across various transition metal oxide series with unusual crystal structures and nontrivial ground states. Here, by such an oxy…
View article: Thermoelectric transport properties of electron doped pyrite FeS2
Thermoelectric transport properties of electron doped pyrite FeS2 Open
Pyrite FeS$_2$ has been investigated for a wide range of applications, including thermoelectrics due to previous observation of large thermopower at room-temperature. However, the values of thermopower reported in the literature is extreme…
View article: Minority-spin conducting states in Fe substituted pyrite CoS<sub>2</sub>
Minority-spin conducting states in Fe substituted pyrite CoS<sub>2</sub> Open
There has been a longstanding debate whether the pyrite CoS 2 or its alloys with FeS 2 are half metallic. We argue using first principles calculations that there is a finite occupation of minority-spin states at the Fermi level throughout …
View article: Order-by-disorder charge density wave condensation at $\mathbf{\textit{q} =(\frac{1}{3},\frac{1}{3},\frac{1}{3})}$ in kagome metal ScV$_6$Sn$_6$
Order-by-disorder charge density wave condensation at $\mathbf{\textit{q} =(\frac{1}{3},\frac{1}{3},\frac{1}{3})}$ in kagome metal ScV$_6$Sn$_6$ Open
The recent discovery of a charge density wave order at the wave vector $P$ $(\frac{1}{3},\frac{1}{3},\frac{1}{3})$ in the kagome metal ScV$_6$Sn$_6$ has created a mystery because subsequent theoretical and experimental studies show a domin…
View article: Emergent electronic landscapes in a novel valence-ordered nickelate with tri-component nickel coordination
Emergent electronic landscapes in a novel valence-ordered nickelate with tri-component nickel coordination Open
The metal-hydride-based topochemical reduction process has produced novel thermodynamically unstable phases across various transition metal oxide series with unusual crystal structures and non-trivial ground states. Here, by such an oxygen…
View article: Transient translation symmetry breaking via quartic-order negative light-phonon coupling at the Brillouin zone boundary in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTaO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
Transient translation symmetry breaking via quartic-order negative light-phonon coupling at the Brillouin zone boundary in Open
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View article: Minority-spin conducting states in Fe substituted pyrite CoS$_2$
Minority-spin conducting states in Fe substituted pyrite CoS$_2$ Open
There has been a longstanding debate whether the pyrite CoS$_2$ or its alloys with FeS$_2$ are half metallic. We argue using first principles calculations that there is a finite occupation of minority-spin states at the Fermi level through…
View article: Transient translation symmetry breaking via quartic-order negative light-phonon coupling at the Brillouin zone boundary in KTaO${}_{3}$
Transient translation symmetry breaking via quartic-order negative light-phonon coupling at the Brillouin zone boundary in KTaO${}_{3}$ Open
KTaO${}_{3}$ presents a rich hyper-Raman spectrum originating from two-phonon processes at the Brillouin zone boundary, indicating the possibility of driving these phonon modes using intense midinfrared laser sources. We obtained the coupl…
View article: The phonon thermal Hall angle in black phosphorus
The phonon thermal Hall angle in black phosphorus Open
The origin of phonon thermal Hall Effect (THE) observed in a variety of insulators is yet to be identified. Here, we report on the observation of a thermal Hall conductivity in a non-magnetic elemental insulator, with an amplitude exceedin…
View article: The phonon thermal Hall angle in black phosphorus
The phonon thermal Hall angle in black phosphorus Open
The origin of phonon thermal Hall Effect (THE) observed in a variety of insulators is yet to be identified. Here, we report on the observation of a thermal Hall conductivity in a non-magnetic elemental insulator, with an amplitude exceedin…
View article: Light-induced translation symmetry breaking via nonlinear phononics
Light-induced translation symmetry breaking via nonlinear phononics Open
Light has a wavelength that is usually longer than the size of the unit cell\nof crystals. Hence, even intense light pulses are not expected to break the\ntranslation symmetry of materials. However, certain materials, including\nKTaO$_3$, …
View article: Mesoscopic fluctuating domains in strontium titanate
Mesoscopic fluctuating domains in strontium titanate Open
Spatial correlations between atoms can generate a depletion in the energy dispersion of acoustic phonons. Two well-known examples are rotons in superfluid helium and the Kohn anomaly in metals. Here we report on the observation of a large …
View article: Light-induced translation symmetry breaking via nonlinear phononics
Light-induced translation symmetry breaking via nonlinear phononics Open
Light has a wavelength that is usually longer than the size of the unit cell of crystals. Hence, even intense light pulses are not expected to break the translation symmetry of materials. However, certain materials, including KTaO$_3$, exh…
View article: Formation of an Electron-Phonon Bifluid in Bulk Antimony
Formation of an Electron-Phonon Bifluid in Bulk Antimony Open
The flow of charge and entropy in solids usually depends on collisions\ndecaying quasiparticle momentum. Hydrodynamic corrections can emerge, however,\nif most collisions among quasiparticles conserve momentum and the\nmean-free-path appro…
View article: Symmetry-Resolved Study of Lattice Vibration and Libration Modes in [Fe(phen)<sub>2</sub>(NCS)<sub>2</sub>] Crystal
Symmetry-Resolved Study of Lattice Vibration and Libration Modes in [Fe(phen)<sub>2</sub>(NCS)<sub>2</sub>] Crystal Open
In the family of spin-crossover materials, which undergo thermal conversion between low-spin (LS) and high-spin (HS) phases, it is of great interest to study vibrational modes. On the one hand, vibration modes are characteristic of the spi…
View article: Mesoscopic tunneling in strontium titanate
Mesoscopic tunneling in strontium titanate Open
Spatial correlation between atoms can generate a depletion in the energy dispersion of acoustic phonons. Two well known examples are rotons in superfluid helium and the Kohn anomaly in metals. Here we report on the observation of a large s…
View article: Possible structural quantum criticality tuned by rare-earth ion substitution in infinite-layer nickelates
Possible structural quantum criticality tuned by rare-earth ion substitution in infinite-layer nickelates Open
I show the infinite-layer rare-earth nickelates are near a structural quantum critical point by mapping the energetics of their structural instabilities using first priniciples calculations. I first confirm previous results that show a pho…
View article: Symmetry-resolved THz, IR, Raman spectroscopies and DFT studies of lattice phonon modes in the spin crossover crystal [Fe(phen)2(NCS)2]
Symmetry-resolved THz, IR, Raman spectroscopies and DFT studies of lattice phonon modes in the spin crossover crystal [Fe(phen)2(NCS)2] Open
View article: Hexagonal-to-base-centered-orthorhombic $4Q$ charge density wave order\n in kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$
Hexagonal-to-base-centered-orthorhombic $4Q$ charge density wave order\n in kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$ Open
I search for the ground state structures of the kagome metals KV$_3$Sb$_5$,\nRbV$_3$Sb$_5$, and CsV$_3$Sb$_5$ using first principles calculations.\nGroup-theoretical analysis shows that there are seventeen different distortions\nthat are p…
View article: Hexagonal-to-base-centered-orthorhombic $4Q$ charge density wave order in kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$
Hexagonal-to-base-centered-orthorhombic $4Q$ charge density wave order in kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$ Open
I search for the ground state structures of the kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$ using first principles calculations. Group-theoretical analysis shows that there are seventeen different distortions that are poss…
View article: Trigonal-to-monoclinic structural transition in TiSe$_2$ due to a combined condensation of $\mathbf{ \textit{q} = (\frac{1}{2},0,0)}$ and $\mathbf{(\frac{1}{2},0,\frac{1}{2})}$ phonon instabilities
Trigonal-to-monoclinic structural transition in TiSe$_2$ due to a combined condensation of $\mathbf{ \textit{q} = (\frac{1}{2},0,0)}$ and $\mathbf{(\frac{1}{2},0,\frac{1}{2})}$ phonon instabilities Open
I present first principles calculations of the phonon dispersions of TiSe$_2$ in the $P\overline{3}c1$ phase, which is the currently accepted low-temperature structure of this material. They show weak instabilities in the acoustic branches…
View article: Trigonal-to-monoclinic structural transition in TiSe$_2$ due to a\n combined condensation of $\\mathbf{ \\textit{q} = (\\frac{1}{2},0,0)}$ and\n $\\mathbf{(\\frac{1}{2},0,\\frac{1}{2})}$ phonon instabilities
Trigonal-to-monoclinic structural transition in TiSe$_2$ due to a\n combined condensation of $\\mathbf{ \\textit{q} = (\\frac{1}{2},0,0)}$ and\n $\\mathbf{(\\frac{1}{2},0,\\frac{1}{2})}$ phonon instabilities Open
I present first principles calculations of the phonon dispersions of TiSe$_2$\nin the $P\\overline{3}c1$ phase, which is the currently accepted low-temperature\nstructure of this material. They show weak instabilities in the acoustic\nbran…
View article: Formation of an electron-phonon bi-fluid in bulk antimony
Formation of an electron-phonon bi-fluid in bulk antimony Open
The flow of charge and entropy in solids usually depends on collisions decaying quasiparticle momentum. Hydrodynamic corrections can emerge, however, if most collisions among quasiparticles conserve momentum and the mean-free-path approach…
View article: Light-control of materials via nonlinear phononics
Light-control of materials via nonlinear phononics Open
Nonlinear phononics is the phenomenon in which a coherent dynamics in a material along a set of phonons is launched after its infrared-active phonons are selectively excited using external light pulses. The microscopic mechanism underlying…