Novel metal oxides with promising high-temperature thermoelectric performance
– Journal of Materials Chemistry C
(2021)
9,
12884
(DOI: 10.1039/d1tc02404c)
On the Chemical Bonding of Amorphous Sb2Te3
– Physica Status Solidi Rapid Research Letters
(2020)
15,
2000485
(DOI: 10.1002/pssr.202000485)
Simulation of Phase-Change-Memory and Thermoelectric Materials using Machine-Learned Interatomic Potentials: Sb2Te3
– Physica Status Solidi B Basic Research
(2020)
258,
2000416
(DOI: 10.1002/pssb.202000416)
Quasilocalized Vibrations in Vitreous Silica
– physica status solidi (b)
(2020)
258,
2000422
(DOI: 10.1002/pssb.202000422)
Tunable phase transitions and high photovoltaic performance of two-dimensional In2Ge2Te6 semiconductors.
– Nanoscale Horiz
(2020)
5,
1566
(DOI: 10.1039/d0nh00395f)
Vacancy formation energy and its connection with bonding environment in solid: A high-throughput calculation and machine learning study
– Computational Materials Science
(2020)
183,
109803
Revisiting the Makishima-Mackenzie model for predicting the young's modulus of oxide glasses
– Acta Materialia
(2020)
195,
252
Phonon traces in glassy vibrations
– Physical Review B
(2020)
102,
024202
(DOI: 10.1103/PhysRevB.102.024202)
Chemical Bonding in Chalcogenides: The Concept of Multicenter Hyperbonding.
– Adv Mater
(2020)
32,
e2000340
(DOI: 10.1002/adma.202000340)
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals.
– Scientific Reports
(2020)
10,
7742
(DOI: 10.1038/s41598-020-64327-3)
Quench-rate and size-dependent behaviour in glassy Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub> models simulated with a machine-learned Gaussian approximation potential
– Journal of Physics D: Applied Physics
(2020)
53,
244002
(DOI: 10.1088/1361-6463/ab77de)
Temperature-induced structural change through the glass transition of silicate glass by neutron diffraction
– Physical Review B
(2020)
101,
134106
(DOI: 10.1103/PhysRevB.101.134106)
Electronic mechanism for resistance drift in phase-change memory materials: Link to persistent photoconductivity
– Journal of Physics D
(2020)
53,
214002
(DOI: 10.1088/1361-6463/ab795e)
Elucidation of the Nature of Structural Relaxation in Glassy d -Sorbitol
– The Journal of Physical Chemistry B
(2020)
124,
1833
(DOI: 10.1021/acs.jpcb.9b11075)
Non-equilibrium ab initio molecular-dynamics simulations of lattice thermal conductivity in glassy Ge2Sb2Te5
– Applied Physics Letters
(2020)
116,
(DOI: 10.1063/1.5132962)
Nonequilibrium <i>ab initio</i> molecular-dynamics simulations of lattice thermal conductivity in irradiated glassy Ge2Sb2Te5
– Applied Physics Letters
(2020)
116,
031902
(DOI: 10.1063/1.5132962)
Temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon: A first-principles study
– Nanoscale
(2020)
1185
(DOI: 10.1039/C9NR08209C)
Temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon: a first-principles study
– Nanoscale
(2020)
12,
1464
(DOI: 10.1039/c9nr08209c)
Synergy effect of co-doping Sc and Y in Sb<sub>2</sub>Te<sub>3</sub> for phase-change memory
– Journal of Materials Chemistry C
(2020)
8,
6672
(DOI: 10.1039/d0tc01693d)