A. Morris

activity

20082023

most citedCation Disorder and Lithium Insertion Mechanism of Wadsley--Roth Crystallographic Shear Phases

122 citations · 759 across the 18 of their papers we have counts for

collaborators

Showing 2022Show all

2 papers · 1 filter

cond-mat.str-el2022★ 13 cited

The importance of electronic correlations in exploring the exotic phase diagram of layered Li $_{x}$ MnO $_{2}$

Hrishit Banerjee, Clare P. Grey, Andrew J. Morris

Using ab initio dynamical mean-field theory we explore the electronic and magnetic states of layered Li $_{x}$ MnO $_{2}$ as a function of $x$ , the state of charge. Constructing real-spac…

cond-mat.mtrl-sci2022

Finite Temperature Effects on the X-ray Absorption Spectra of Crystalline Aluminas from First Principles

Angela F. Harper, Bartomeu Monserrat, Andrew J. Morris

By including phonon-assisted transitions within plane-wave DFT methods for calculating the X-ray absorption spectrum (XAS) we obtain the Al K-edge XAS at 300 K for two Al $_{2}$ O $_{3}$ …

The importance of electronic correlations in exploring the exotic phase diagram of layered Lix​MnO2​

Finite Temperature Effects on the X-ray Absorption Spectra of Crystalline Aluminas from First Principles

The importance of electronic correlations in exploring the exotic phase diagram of layered Li $_{x}$ MnO $_{2}$