First-principles effective Hamiltonian for finite-temperature modeling of nonperovskite ferroelectrics
- 5 August 2025
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 112 (6)
Abstract
No abstract availableFunding Information
- U.S. Department of Energy (DE-SC0005245, DE-AC02-05CH11231)
- National Energy Research Scientific Computing Center (BES-ERCAP-0025236.x)
This publication has 48 references indexed in Scilit:
- Efficient first-principles electronic transport approach to complex band structure materials: the case of n-type Mg3Sb2npj Computational Materials, 2024
- Theoretical approach to ferroelectricity in hafnia and related materialsCommunications Materials, 2023
- Wurtzite and fluorite ferroelectric materials for electronic memoryNature Nanotechnology, 2023
- Reversible transition between the polar and antipolar phases and its implications for wake-up and fatigue in HfO2-based ferroelectric thin filmNature Communications, 2022
- Finite‐Temperature Dynamics in Cesium Lead Iodide Halide PerovskiteAdvanced Functional Materials, 2021
- In situ deposition of PbTiO3 thin films by direct current reactive magnetron sputteringApplied Surface Science, 2016
- Electric field and temperature scaling of polarization reversal in silicon doped hafnium oxide ferroelectric thin filmsActa Materialia, 2015
- Unusual phase transitions in ferroelectric nanodisks and nanorodsNature, 2004
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setComputational Materials Science, 1996
- Hafnia and hafnia-toughened ceramicsJournal of Materials Science, 1992