Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures

We present a combined experimental and theoretical study of the charge transport properties of TiH_{x}(x=1.6–2.0) epitaxial thin films. We found that the Hall coefficient of TiH_{x} strongly depends on hydrogen content and unit-cell volume: Nearly stoichiometric TiH_{x}(x≈2.0) films with large unit-...

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Main Authors: Ryota Shimizu, Yuki Sasahara, Ikutaro Hamada, Hiroyuki Oguchi, Shohei Ogura, Tetsuroh Shirasawa, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Shin-ichi Orimo, Katsuyuki Fukutani, Taro Hitosugi
Format: Article
Language:English
Published: American Physical Society 2020-09-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.2.033467
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author Ryota Shimizu
Yuki Sasahara
Ikutaro Hamada
Hiroyuki Oguchi
Shohei Ogura
Tetsuroh Shirasawa
Miho Kitamura
Koji Horiba
Hiroshi Kumigashira
Shin-ichi Orimo
Katsuyuki Fukutani
Taro Hitosugi
author_facet Ryota Shimizu
Yuki Sasahara
Ikutaro Hamada
Hiroyuki Oguchi
Shohei Ogura
Tetsuroh Shirasawa
Miho Kitamura
Koji Horiba
Hiroshi Kumigashira
Shin-ichi Orimo
Katsuyuki Fukutani
Taro Hitosugi
author_sort Ryota Shimizu
collection DOAJ
description We present a combined experimental and theoretical study of the charge transport properties of TiH_{x}(x=1.6–2.0) epitaxial thin films. We found that the Hall coefficient of TiH_{x} strongly depends on hydrogen content and unit-cell volume: Nearly stoichiometric TiH_{x}(x≈2.0) films with large unit-cell volumes showed positive Hall coefficients at 4 K, whereas TiH_{x} samples with x<∼1.7 and small unit-cell volumes showed negative Hall coefficients at 4 K. Our density functional theory calculations reveal that the volume change leads to the change in the aspect ratio of the tetragonal lattice, thereby lifting the degeneracy of Ti t_{2g} states, and alters the contributions of electrons and holes at the Fermi surface and the sign of the Hall coefficient. The present study clarifies the important role of the lattice symmetry in determining the charge carrier polarity, and we suggest that electronic properties of metal hydrides can be tuned by the lattice parameters via the hydrogen contents.
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spelling doaj.art-beb52c23c5734fd9b2c49795329cf6a12024-04-12T17:01:02ZengAmerican Physical SocietyPhysical Review Research2643-15642020-09-012303346710.1103/PhysRevResearch.2.033467Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperaturesRyota ShimizuYuki SasaharaIkutaro HamadaHiroyuki OguchiShohei OguraTetsuroh ShirasawaMiho KitamuraKoji HoribaHiroshi KumigashiraShin-ichi OrimoKatsuyuki FukutaniTaro HitosugiWe present a combined experimental and theoretical study of the charge transport properties of TiH_{x}(x=1.6–2.0) epitaxial thin films. We found that the Hall coefficient of TiH_{x} strongly depends on hydrogen content and unit-cell volume: Nearly stoichiometric TiH_{x}(x≈2.0) films with large unit-cell volumes showed positive Hall coefficients at 4 K, whereas TiH_{x} samples with x<∼1.7 and small unit-cell volumes showed negative Hall coefficients at 4 K. Our density functional theory calculations reveal that the volume change leads to the change in the aspect ratio of the tetragonal lattice, thereby lifting the degeneracy of Ti t_{2g} states, and alters the contributions of electrons and holes at the Fermi surface and the sign of the Hall coefficient. The present study clarifies the important role of the lattice symmetry in determining the charge carrier polarity, and we suggest that electronic properties of metal hydrides can be tuned by the lattice parameters via the hydrogen contents.http://doi.org/10.1103/PhysRevResearch.2.033467
spellingShingle Ryota Shimizu
Yuki Sasahara
Ikutaro Hamada
Hiroyuki Oguchi
Shohei Ogura
Tetsuroh Shirasawa
Miho Kitamura
Koji Horiba
Hiroshi Kumigashira
Shin-ichi Orimo
Katsuyuki Fukutani
Taro Hitosugi
Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures
Physical Review Research
title Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures
title_full Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures
title_fullStr Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures
title_full_unstemmed Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures
title_short Polarity reversal of the charge carrier in tetragonal TiH_{x}(x=1.6−2.0) at low temperatures
title_sort polarity reversal of the charge carrier in tetragonal tih x x 1 6 2 0 at low temperatures
url http://doi.org/10.1103/PhysRevResearch.2.033467
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