Understanding doping of quantum materials
Doping mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the
enabling step in the electronic and optoelectronic revolutions. The recent emergence of a …
enabling step in the electronic and optoelectronic revolutions. The recent emergence of a …
Beyond T-graphene: Two-dimensional tetragonal allotropes and their potential applications
Breakthrough of graphene dictates that decreasing dimensionality of the semiconducting
materials can generate unusual electronic structures, excellent mechanical, and thermal …
materials can generate unusual electronic structures, excellent mechanical, and thermal …
Restructured single parabolic band model for quick analysis in thermoelectricity
The single parabolic band (SPB) model has been widely used to preliminarily elucidate
inherent transport behaviors of thermoelectric (TE) materials, such as their band structure …
inherent transport behaviors of thermoelectric (TE) materials, such as their band structure …
Topology and symmetry in quantum materials
Interest in topological materials continues to grow unabated in view of their conceptual
novelties as well as their potential as platforms for transformational new technologies …
novelties as well as their potential as platforms for transformational new technologies …
Effect of static local distortions vs. dynamic motions on the stability and band gaps of cubic oxide and halide perovskites
Ternary ABX 3 perovskites made of corner-sharing BX 6 octahedra have long featured
prominently in solid-state chemistry and condensed matter physics. Still, the joint …
prominently in solid-state chemistry and condensed matter physics. Still, the joint …
Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3
This work demonstrates a direct density functional description of the finite-temperature
thermodynamic properties of solids exhibiting phase transitions through positional and spin …
thermodynamic properties of solids exhibiting phase transitions through positional and spin …
Bulk is thermodynamically unstable with respect to decomposition while hydrogenation reduces the instability and transforms it from metal to insulator
The quest for a Ni-based oxide analog to cuprate Cu 2+(d 9) superconductors was long
known to require a reduced form of Ni 1+(d 9) as in A 3+ Ni 1+ O 2, being an extremely …
known to require a reduced form of Ni 1+(d 9) as in A 3+ Ni 1+ O 2, being an extremely …
Epitaxial ferroelectric interfacial devices
Ferroelectric interfacial devices consist of materials systems whose interfacial electronic
properties (such as a 2D electron gas or an interfacial magnetic spin configuration) are …
properties (such as a 2D electron gas or an interfacial magnetic spin configuration) are …
Competing electronic states emerging on polar surfaces
Excess charge on polar surfaces of ionic compounds is commonly described by the two-
dimensional electron gas (2DEG) model, a homogeneous distribution of charge, spatially …
dimensional electron gas (2DEG) model, a homogeneous distribution of charge, spatially …
Mass enhancement in and perovskites from symmetry breaking
In some d-electron oxides, the measured effective mass m exptl* has long been known to be
significantly larger than the model effective mass m model* deduced from mean-field band …
significantly larger than the model effective mass m model* deduced from mean-field band …