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19952026
most citedThe virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites

912 citations

Showing 2022 · cond-mat.mtrl-sciShow all

14 papers · 2 filters

cond-mat.mtrl-sci2022★ 12 cited

Microscopic Origin of the Electric Dzyaloshinskii-Moriya Interaction

Peng Chen, Hong Jian Zhao, Sergey Prosandeev +2

The microscopic origin of the electric Dzyaloshinskii-Moriya interaction (eDMI) is unveiled and discussed by analytical analysis and first-principles based calculations. As similar…

cond-mat.mtrl-sci2022★ 8 cited

A new look at the temperature-dependent properties of the antiferroelectric model PbZrO3: an effective Hamiltonian study

Kinnary Patel, Bin Xu, Sergey Prosandeev +4

A novel atomistic effective Hamiltonian scheme, incorporating an original and simple bilinear energetic coupling, is developed and used to investigate the temperature dependent phy…

cond-mat.mtrl-sci2022★ 10 cited

Spin-current driven Dzyaloshinskii-Moriya interaction in the multiferroic BiFeO3 from first-principles

Sebastian Meyer, Bin Xu, Matthieu Verstraete +2

The electrical control of magnons opens up new ways to transport and process information for logic devices. In magnetoelectrical multiferroics, the Dzyaloshinskii-Moriya (DM) inter…

cond-mat.mtrl-sci2022★ 10 cited

Origin of negative electrocaloric effect in Pnma-type antiferroelectric perovskites

Ningbo Fan, Jorge Íñiguez, L. Bellaiche +1

Anomalous electrocaloric effect (ECE) with decreasing temperature upon application of an electric field is known to occur in antiferroelectrics (AFEs), and previous understanding r…

cond-mat.mtrl-sci2022★ 16 cited

Slippery paraelectric transition metal dichalcogenide bilayers

Juan M. Marmolejo-Tejada, Joseph E. Roll, Shiva Prasad Poudel +2

Traditional ferroelectrics undergo thermally-induced phase transitions whereby their structural symmetry increases. The associated higher-symmetry structure is dubbed {\em paraelec…

cond-mat.mtrl-sci2022★ 42 cited

Ferroelectric Solitons Crafted in Epitaxial Bismuth Ferrite Superlattices

V. Govinden, P. R. Tong, X. Guo +10

In ferroelectrics, complex interactions among various degrees of freedom enable the condensation of topologically protected polarization textures. Known as ferroelectric solitons,…

cond-mat.mtrl-sci2022★ 6 cited

Perspective: Molecular beam epitaxy of antiperovskite oxides

H. Nakamura, D. Huang, H. Takagi

Antiperovskites, or inverse perovskites, have recently emerged as a material class with a plethora of promising electronic properties. This perspective describes the molecular beam…

cond-mat.mtrl-sci2022★ 81 cited

Controlling magnetic exchange and anisotropy by non-magnetic ligand substitution in layered MPX3 (M = Ni, Mn; X = S, Se)

Rabindra Basnet, K. Kotur, M. Rybak +5

Recent discoveries in two-dimensional (2D) magnetism have intensified the investigation of van der Waals (vdW) magnetic materials and further improved our ability to tune their mag…

cond-mat.mtrl-sci2022★ 17 cited

Evolution of Electronic and Magnetic Properties in Topological Semimetal SmSbxTe2-x

Krishna Pandey, Rabindra Basnet, Jian Wang +2

The ZrSiS-type materials have attracted intensive attention due to the existence of various topological fermions. The magnetic version of the ZrSiS-type materials, LnSbTe (Ln = lan…

cond-mat.mtrl-sci2022★ 34 cited

Zeeman effect in centrosymmetric antiferromagnets controlled by an electric field

Hong Jian Zhao, Xinran Liu, Yanchao Wang +3

Centrosymmetric antiferromagnetic semiconductors, although abundant in nature, seem less promising than ferromagnets and ferroelectrics for practical applications in semiconductor…

cond-mat.mtrl-sci2022

Lattice Dynamics, Mechanical Properties, Electronic Structure and Magnetic Properties of Equiatomic Quaternary Heusler Alloys CrTiCoZ (Z =Al,Si) using first principles calculations

Eesha Andharia, Hind Alquarashi, Bothina Hamad

First principles calculations are performed to investigate the thermodynamical stability, dynamical, mechanical, electronic and magnetic properties of CrTiCoZ (Z= Al/Si) novel quat…

cond-mat.mtrl-sci2022★ 6 cited

Elasticity of 2D ferroelectrics across their paraelectric phase transformation

Joseph E. Roll, John M. Davis, John W. Villanova +1

The mechanical behavior of two-dimensional (2D) materials across 2D phase changes is unknown, and the finite temperature () elasticity of paradigmatic SnSe monolayers -- ferroel…

cond-mat.mtrl-sci2022

Field-Dependent Magnetic Domain Behavior in van der Waals FeGeTe

Yue Li, Rabindra Basnet, Krishna Pandey +6

Two-dimensional magnetic van der Waals (vdW) materials can show a variety of topological nontrivial spin textures, such as Bloch- or Néel-type stripe, skyrmion or bubble domains un…

cond-mat.mtrl-sci2022★ 41 cited

Chemically edge-carboxylated graphene enhances thermal conductivity of polyetherimide-graphene nanocomposites

Fatema Tarannum, Rajmohan Muthaiah, Swapneel Danayat +4

In this work, we demonstrate that edge-oxidation of graphene can enable larger enhancement in thermal conductivity (k) of graphene-nanoplatelet (GnP)/polyetherimide (PEI) composite…