Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 1005.0111

Model of hopping dc conductivity via nearest neighbor boron atoms in moderately compensated diamond crystals

N. A. Poklonski·S. A. Vyrko·A. G. Zabrodskii
View original source ↗Read source document ↗Export metadata ↓

Abstract

Expressions for dependences of the pre-exponential factor σ_3 and the thermal activation energy ε_3 of hopping electric conductivity of holes via boron atoms on the boron atom concentration N and the compensation ratio K are obtained in the quasiclassical approximation. It is assumed that the acceptors (boron atoms) in charge states (0) and (-1) and the donors that compensate them in the charge state (+1) form a nonstoichiometric simple cubic lattice with translational period R_h = [(1 + K)N]^{-1/3} within the crystalline matrix. A hopping event occurs only over the distance R_h at a thermally activated accidental coincidence of the acceptor levels in charge states (0) and (-1). Donors block the fraction K/(1 - K) of impurity lattice sites. The hole hopping conductivity is averaged over all possible orientations of the lattice with respect to the external electric field direction. It is supposed that an acceptor band is formed by Gaussian fluctuations of the potential energy of boron atoms in charge state (-1) due to Coulomb interaction only between the ions at distance R_h. The shift of the acceptor band towards the top of the valence band with increasing N due to screening (in the Debye--Hückel approximation) of the impurity ions by holes hopping via acceptor states was taken into account. The calculated values of σ_3(N) and ε_3(N) for K \approx 0.25 agree well with known experimental data at the insulator side of the insulator--metal phase transition. The calculation is carried out at a temperature two times lower than the transition temperature from hole transport in v-band of diamond to hopping conductance via boron atoms.

Explore related subjects

cond-mat.mtrl-sci

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

N. A. Poklonski, S. A. Vyrko, A. G. Zabrodskii. 2011-09-05. Model of hopping dc conductivity via nearest neighbor boron atoms in moderately compensated diamond crystals. https://doi.org/10.1016/j.ssc.2009.05.031

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

Cryptomelane is a hollandite-like material consisting of K$^+$ cations in an $α$-MnO$_2$ tunnel-like crystallographic motif. Cryptomelane with stoichiometry K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$) has been synthesized and its magnetic properties investigated using variable-temperature magnetic susceptibility, heat capacity, and neutron powder diffraction. Three distinct transitions at $T_1=184$\,K, $T_2=54.5$\,K, and $T_3=24$\,K are observed. At $T_1$ there is a subtle tetragonal$\rightarrow$monoclinic transition associated with emergence of a set of non-magnetic superstructure peaks indexable to a $\vec{k}_\mathrm{struc}\approx0.74\vec{c^*}$ incommensurate modulation parallel to the $α$-MnO$_2$ tunnels. Our findings are consistent with a relation previously reported in titanate hollandites, that $x\approx2|\vec{k}_\mathrm{struc}|$. Magnetic Bragg peaks emerge below $T_2=54.5$\,K, and their positions indicate an incommensurate modulated magnetic structure. The model consistent with the data is a dual-$\vec{k}_\mathrm{mag}$ structure with a ferromagnetic $|\vec{k}_\mathrm{mag}|=0$ component and an incommensurate $\vec{k}_\mathrm{mag}\approx0.37\vec{c^*}$, with the latter most likely to be helical. The period of oscillation of the incommensurate magnetic component is in line with predictions based on a Heisenberg spin Hamiltonian [Mandal \textit{et al}. Phys. Rev. B 90, 104420 (2014)]. Below $T_3=24$\,K, there is a magnetic transition, which gives rise to a different set of magnetic Bragg peaks indicative of a highly complex magnetic structure.

cond-mat.mtrl-sci↗
arXiv2026

An anisotropic functional for two-dimensional material systems

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose a special challenge, as all these materials and their heterostructures have a crucial similarity. The underlying atomic structures are strongly spatially inhomogeneous, implying that current exchange-correlation functionals, that in almost all cases are isotropic, are ill-prepared for an accurate description. We present an anisotropic screened-exchange potential, that remedies this problem and reproduces the band-gap of 2D materials as well as the piecewise linearity of the total energy with fractional occupation number.

cond-mat.mtrl-sci↗
arXiv2026

Thermally-driven reorientation of the Néel vector in altermagnetic MnTe

Altermagnets are novel magnetic systems that possess a spin-polarized electronic band structure without a net magnetic moment, making them promising for device applications. Hexagonal MnTe, a prototypical altermagnet, arguably exhibits the most properties consistent with theoretical predictions, including an anomalous Hall effect despite a vanishing net magnetization, and altermagnetinduced electronic band splitting. However, fundamental questions remain, including why some effects only appear significantly below the magnetic ordering temperature. Here, we resolve this discrepancy by revealing a reorientation of the Néel vector in single-crystalline MnTe. The Néel vector points 30° from the a-axis at low $T$, before aligning directly with the a-axis around $T\simeq 260$ K. We attribute this to single-ion anisotropy, which depends on temperature-dependent lattice parameters. We obtained these results using muon-spin spectroscopy, magnetization measurements, and X-ray diffraction; we show that the findings are consistent with neutron diffraction. Manipulating this effect, for example through strain, could unlock sensitive electronic detection schemes for external stimuli, paving the way for functional altermagnetic devices.

cond-mat.mtrl-sci↗