Saved in:
Bibliographic Details
Main Authors: Linteau, David, Pescia, Gabriel, Nys, Jannes, Carleo, Giuseppe, Holzmann, Markus
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2412.05332
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1866909652121288704
author Linteau, David
Pescia, Gabriel
Nys, Jannes
Carleo, Giuseppe
Holzmann, Markus
author_facet Linteau, David
Pescia, Gabriel
Nys, Jannes
Carleo, Giuseppe
Holzmann, Markus
contents We study the zero-temperature phase diagram of two-dimensional helium-4 using neural quantum states. Our variational description allows us to address liquid and solid phases using the same functional form as well as exploring possible melting scenarios, for instance via an intermediate hexatic phase. Notably, this is achieved by performing fixed pressure variational Monte Carlo calculations. Within the isobaric ensemble framework, we are able to clearly identify the first-order liquid-solid phase transition. However, in an intermediate region of nearly constant pressure, we find that simulations of $N=30$ atoms continuously transition from liquid to solid, with signatures of a hexatic order coexisting with a small condensate fraction. Calculations for larger systems follow the metastable liquid and solid branches in this transient region. We additionally compute the Rényi-2 entanglement entropy across the liquid-solid phase transition and find a sharp decrease upon freezing.
format Preprint
id arxiv_https___arxiv_org_abs_2412_05332
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Phase diagram and crystal melting of helium-4 in two dimensions
Linteau, David
Pescia, Gabriel
Nys, Jannes
Carleo, Giuseppe
Holzmann, Markus
Statistical Mechanics
Quantum Physics
We study the zero-temperature phase diagram of two-dimensional helium-4 using neural quantum states. Our variational description allows us to address liquid and solid phases using the same functional form as well as exploring possible melting scenarios, for instance via an intermediate hexatic phase. Notably, this is achieved by performing fixed pressure variational Monte Carlo calculations. Within the isobaric ensemble framework, we are able to clearly identify the first-order liquid-solid phase transition. However, in an intermediate region of nearly constant pressure, we find that simulations of $N=30$ atoms continuously transition from liquid to solid, with signatures of a hexatic order coexisting with a small condensate fraction. Calculations for larger systems follow the metastable liquid and solid branches in this transient region. We additionally compute the Rényi-2 entanglement entropy across the liquid-solid phase transition and find a sharp decrease upon freezing.
title Phase diagram and crystal melting of helium-4 in two dimensions
topic Statistical Mechanics
Quantum Physics
url https://arxiv.org/abs/2412.05332