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Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics

Physical review letters, 2014-05, Vol.112 (17), p.175501-175501, Article 175501

2014

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Intrinsic anharmonic localization in thermoelectric PbSe

Nature communications, 2019-04, Vol.10 (1), p.1928-1928, Article 1928

2019

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Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts

Nature communications, 2018-11, Vol.9 (1), p.4789-8, Article 4789

2018

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Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon

Proceedings of the National Academy of Sciences - PNAS, 2018-02, Vol.115 (9), p.1992-1997

2018

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A thermodynamic explanation of the Invar effect

Nature physics, 2023-11, Vol.19 (11), p.1642-1648

2023

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Dynamical stabilization in delafossite nitrides for solar energy conversion

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (42), p.20852-20860

2018

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Dynamic and structural stability of cubic vanadium nitride

Physical review. B, Condensed matter and materials physics, 2015-02, Vol.91 (5), p.054101, Article 054101

2015

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Temperature dependence of electron-phonon interactions in vanadium

Physical review. B, 2020-03, Vol.101 (9), p.1, Article 094305

2020

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Thermodynamic modelling of crystalline unary phases

Physica Status Solidi. B: Basic Solid State Physics, 2014-01, Vol.251 (1), p.14-32

2014

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Charge redistribution mechanisms of ceria reduction

Physical review letters, 2012-03, Vol.108 (13), p.135504-135504, Article 135504

2012

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Temperature-dependent phonon lifetimes and thermal conductivity of silicon by inelastic neutron scattering and ab initio calculations

Physical review. B, 2020-11, Vol.102 (17), p.174311, Article 174311

2020

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Thermally Driven Electronic Topological Transition in FeTi

Physical review letters, 2016-08, Vol.117 (7), p.076402-076402, Article 076402

2016

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Temperature dependence of phonons in Pd3Fe through the Curie temperature

Physical review. B, 2018-07, Vol.98 (2), p.024301

2018

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Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics

Physical review. B, 2016-03, Vol.93 (9), p.094305, Article 094305

2016

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Phonons and elasticity of cementite through the Curie temperature

Physical review. B, 2017-01, Vol.95 (2), p.024308, Article 024308

2017

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Quenching of bcc-Fe from high to room temperature at high-pressure conditions: a molecular dynamics simulation

New journal of physics, 2009-09, Vol.11 (9), p.093039

2009

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Theoretical description of pressure-induced phase transitions: a case study of Ti-V alloys

High pressure research, 2015-01, Vol.35 (1), p.42-48

2015

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Lattice dynamics of anharmonic solids from first principles

Physical review. B, Condensed matter and materials physics, 2011-11, Vol.84 (18), p.180301, Article 180301

2011

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Temperature dependence of electron-phonon interactions in vanadium

Physical review. B, 2020-03, Vol.101 (9)

2020

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Dynamical stabilization in delafossite nitrides for solar energy conversionElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ta07536k

2018-10

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Thermal expansion and phonon anharmonicity of cuprite studied by inelastic neutron scattering and ab initio calculations

Physical review. B, 2022-05, Vol.105 (17), Article 174308

2022

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Atomic-scale study of second-phase formation involving large coherency strains in Fe–20 at.% Mo

Scripta materialia, 2000-03, Vol.42 (7), p.645-651

2000

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Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

Physical review. B, Condensed matter and materials physics, 2015-11, Vol.92 (17), p.174301, Article 174301

2015

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Thermally Driven Electronic Topological Transition in FeTi

Physical review letters, 2016-11, Vol.117 (7)

2016

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Subnanometer three-dimensional atom-probe investigation of segregation at MgO/Cu ceramic/metal heterophase interfaces

Ultramicroscopy, 2001-10, Vol.89 (1), p.203-213

2001

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Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics

Intrinsic anharmonic localization in thermoelectric PbSe

Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts

Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon

A thermodynamic explanation of the Invar effect

Dynamical stabilization in delafossite nitrides for solar energy conversion

Dynamic and structural stability of cubic vanadium nitride

Temperature dependence of electron-phonon interactions in vanadium

Thermodynamic modelling of crystalline unary phases

Charge redistribution mechanisms of ceria reduction

Temperature-dependent phonon lifetimes and thermal conductivity of silicon by inelastic neutron scattering and ab initio calculations

Thermally Driven Electronic Topological Transition in FeTi

Temperature dependence of phonons in Pd3Fe through the Curie temperature

Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics

Phonons and elasticity of cementite through the Curie temperature

Quenching of bcc-Fe from high to room temperature at high-pressure conditions: a molecular dynamics simulation

Theoretical description of pressure-induced phase transitions: a case study of Ti-V alloys

Lattice dynamics of anharmonic solids from first principles

Temperature dependence of electron-phonon interactions in vanadium

Dynamical stabilization in delafossite nitrides for solar energy conversionElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ta07536k

Thermal expansion and phonon anharmonicity of cuprite studied by inelastic neutron scattering and ab initio calculations

Atomic-scale study of second-phase formation involving large coherency strains in Fe–20 at.% Mo

Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

Thermally Driven Electronic Topological Transition in FeTi

Subnanometer three-dimensional atom-probe investigation of segregation at MgO/Cu ceramic/metal heterophase interfaces

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