The traditional bulk Rashba effect predicts spin-orbit coupling induced wave-vector-dependent spin splitting between energy bands in nonmagnetic solids that lack spatial inversion symmetry. authors show here how the violation of magnetic symmetry leads instead to a few prototypes momentum-dependent are by antiferromagnetism. This discovery broadens spintronics playing field include centrosymmetric compounds, even made light elements with low coupling. Atomistic density functional...

Antiferromagnetic order offers a non-relativistic route to create spin splitting and polarization effects that do not rely on heavy element compounds (with strong spin-orbit coupling, SOC), could exist even in centrosymmetric crystals. Cases enabling such non-relativistic, SOC-unrelated effect are classified as SST-4 (SST-4A SST-4B) of all seven possible prototypes derived this paper based magnetic symmetry analysis. The authors uncovered 422 space groups (160 262 non-centrosymmetric) 201...

Although the direct or indirect nature of bandgap transition is an essential parameter semiconductors for optoelectronic applications, understanding why some conventional have bandgaps remains ambiguous. In this Letter, we revealed that existence occupied cation d bands a prime element in determining directness through s-d and p-d couplings, which push conduction band energy levels at X- L-valley up, but leaves {\Gamma}-valley state unchanged. This unified theory unambiguously explains...

Energy bands in antiferromagnets are supposed to be spin degenerate the absence of spin-orbit coupling (SOC). Recent studies have identified formal symmetry conditions for antiferromagnetic crystals which this degeneracy can lifted, splitting,even vanishing SOC (i.e., non-relativistic) limit. Materials having such symmetries could enable spin-split spintronics without burden using heavy-atom compounds. However, that involve and magnetic not always effective as practical material selection...

The nonrelativistic spin-splitting (NRSS) of electronic bands in "altermagnets" has sparked renewed interest antiferromagnets (AFMs) that have no net magnetization. However, altermagnets with collinear and compensated magnetism are not the only type NRSS AFMs. In this Letter, we identify symmetry conditions characteristic signatures a distinct group AFMs go beyond description altermagnets. These compounds exhibit broken spin degeneracy among spin-polarized at Γ point absence spin-orbit...

Crystallographic space group symmetry (CPGS) such as polar and nonpolar crystal classes have long been known to classify compounds that spin-orbit-induced spin splitting. While taking a journey through the Brillouin Zone (BZ) from one k-point another for fixed CPGS, it is expected wavevector point (WPGS) can change, consequently qualitative change in texture of polarization (the expectation value operator $\vec{S}^{nk_{0}}$ Bloch state $u(n,k)$ $k_0$). However, nature (ST) generally...

Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such 'apparent effects', 'hidden effect X' refers the general condition where nominal global system symmetry would disallow X, whereas of local sectors within crystal enable X. Known examples include hidden Rashba and/or Dresselhaus spin polarization that require spin-orbit coupling, but unlike their apparent counterparts demonstrated exist non-magnetic systems even inversion-symmetric...

Recent studies show the nonrelativistic antiferromagnetic ordering could generate momentum-dependent spin splitting analogous to Rashba effect but free from requirement of relativistic spin-orbit coupling. Whereas classification such compounds can be illustrated by different spin-splitting prototypes (SSTs) symmetry analysis and density-functional-theory calculations, huge variation in chemical bonding structures these diverse possibly clouds issue how much traced back symmetry-defined...

Abstract Germanium (Ge) is an attractive material for Silicon (Si) compatible optoelectronics, but the nature of its indirect bandgap renders it inefficient light emitter. Drawing inspiration from significant expansion Ge volume upon lithiation as a Lithium (Li) ion battery anode, here, we propose incorporating Li atoms into to cause lattice achieve desired tensile strain transition direct bandgap. Our first-principles calculations show that minimal amount 3 at.% can convert possess dipole...

The insulating transition metal nitride Ca3CrN3 consists of sheets triangular [CrN3]6- units with C2v symmetry that are connected via quasi-1D zigzag chains. Due to strong covalency between Cr and N, Cr3+ ions unusually low-spin, S = 1/2. Magnetic susceptibility measurements reveal dominant spin correlations very large nearest-neighbor antiferromagnetic exchange J 340 K yet no sign magnetic order down T 0.1 K. Density functional theory calculations used model the local electronic structure...

Hidden Rashba and Dresselhaus spin-splittings in centrosymmetric crystals with subunits (sectors) having non-centrosymmetric symmetries (the R-2 D-2 effects) have been predicted observed experimentally, but the microscopic mechanism remains unclear. Here we demonstrate that spin-splitting is enforced by specific (such as non-symmorphic present example) which ensures pertinent spin wavefunctions segregate spatially on just one of two inversion-partner sectors thus avoid compensation. This...

The non-relativistic spin-splitting (NRSS) of electronic bands in "altermagnets" has sparked renewed interest antiferromagnets (AFMs) that have no net magnetization. However, altermagnets with collinear and compensated magnetism are not the only type NRSS AFMs. In this study, we identify symmetry conditions characteristic signatures a distinct group AFMs go beyond description altermagnets. These compounds exhibit broken spin-degeneracy among spin-polarized at $\Gamma$ point absence...

Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such "apparent effects", "hidden effect X" refers the general condition where nominal global system symmetry would disallow X, whereas of local sectors within crystal enable X. Known examples include hidden Rashba and/or Dresselhaus spin polarization that require orbit coupling, but (unlike apparent and counterparts) can exist even inversion-symmetric non-magnetic crystals. Here we point out...

Energy bands in antiferromagnets are generally spin degenerate the absence of spin-orbit coupling (SOC). Recent studies [Physical Review B 102, 014422 (2020)] identified formal symmetry conditions for crystals which this degeneracy can be lifted even zero SOC limit. Such materials could enable "spin-split" antiferromagnetic spintronics without burden use heavy atom compounds. Here, we show that these interpreted terms easy-to-visualize local motif pair, such as octahedra or tetrahedra, each...

Abstract Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such ‘apparent effects’, ‘hidden effect X’ refers the general condition where nominal global system symmetry would disallow X, whereas of local sectors within crystal enable X. Known examples include hidden Rashba and/or Dresselhaus spin polarization that require orbit coupling, but (unlike apparent and counterparts) can exist even inversion-symmetric non-magnetic crystals. Here we...