Benjamin P. Burton

activity

20112017

collaborators

4 papers

cond-mat.mtrl-sci2017

First Principles Phase Diagram Calculation for the 2D TMD system $W S_{2} - W T e_{2}$

B. P. Burton

First principles phase diagram calculations, that included van der Waals interactions, were performed for the bulk transition metal dichalcogenide system $(1-X) \cdot WS_{2} - (X)…

physics.comp-ph2016

The Polar Nano Regions $⇌$ Relaxor Transition in $P b_{1 - X} (S c_{1/2} N b_{1/2}) O_{3 - X}$ ; $X$ = bulk concentration of nearest neighbor [Pb-O] divacancies

B. P. Burton, Eric Cockayne, D. B. Gopman +2

In previous work, molecular dynamics simulations based on a first-principles-derived effective Hamiltonian for $P b_{1 - X} (S c_{1/2} N b_{1/2}) O_{3 - X}$ ~ (PSN), with nearest-neighbor Pb-…

cond-mat.mtrl-sci2015

Prediction of entropy stabilized incommensurate phases in the system MoS $_{2}$ -MoTe $_{2}$

Benjamin P. Burton, Arunima K. Singh

A first principles phase diagram calculation, that included van der Waals interactions, was performed for the system (1-X) $\cdot$ MoS $_{2}$ -(X) $\cdot$ MoTe $_{2}$ . Surprisingly, the p…

cond-mat.mtrl-sci2011

First Principles Phase Diagram Calculations for the Octahedral-Interstitial System $H f O_{X}$ , $0 \leq X \leq 1/2$

Benjamin P. Burton, Axel van de Walle

First principles based phase diagram calculations were performed for the hexagonal closest packed octahedral-interstitial solid solution system $α H f O_{X} ($ αHf[ ]_{1-X}O_{X}$; [ ]=…

First Principles Phase Diagram Calculation for the 2D TMD system WS2​−WTe2​

The Polar Nano Regions ⇌ Relaxor Transition in Pb1−X​(Sc1/2​Nb1/2​)O3−X​; X = bulk concentration of nearest neighbor [Pb-O] divacancies

Prediction of entropy stabilized incommensurate phases in the system MoS2​-MoTe2​

First Principles Phase Diagram Calculations for the Octahedral-Interstitial System HfOX​, 0≤X≤1/2

First Principles Phase Diagram Calculation for the 2D TMD system $W S_{2} - W T e_{2}$

The Polar Nano Regions $⇌$ Relaxor Transition in $P b_{1 - X} (S c_{1/2} N b_{1/2}) O_{3 - X}$ ; $X$ = bulk concentration of nearest neighbor [Pb-O] divacancies

Prediction of entropy stabilized incommensurate phases in the system MoS $_{2}$ -MoTe $_{2}$

First Principles Phase Diagram Calculations for the Octahedral-Interstitial System $H f O_{X}$ , $0 \leq X \leq 1/2$